Tag: M.W=150-200

A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. 70-23-5, formula is C5H7BrO3, Name is Ethyl 3-bromo-2-oxopropanoate. Organobromine compounds have fallen under increased scrutiny for their environmental impact., Product Details of C5H7BrO3.

Damghani, Tahereh;Moosavi, Fatemeh;Khoshneviszadeh, Mehdi;Mortazavi, Motahareh;Pirhadi, Somayeh;Kayani, Zahra;Saso, Luciano;Edraki, Najmeh;Firuzi, Omidreza research published 《 Imidazopyridine hydrazone derivatives exert antiproliferative effect on lung and pancreatic cancer cells and potentially inhibit receptor tyrosine kinases including c-Met》, the research content is summarized as follows. Abstract: Aberrant activation of c-Met signalling plays a prominent role in cancer development and progression. A series of 12 imidazo [1,2-α] pyridine derivatives bearing 1,2,3-triazole moiety were designed, synthesized and evaluated for c-Met inhibitory potential and anticancer effect. The inhibitory activity of all synthesized compounds against c-Met kinase was evaluated by a homogeneous time-resolved fluorescence (HTRF) assay at the concentration range of 5-25 μM. Derivatives 6d, 6e and 6f bearing Me, tert-Bu and dichloro-Ph moieties on the triazole ring, resp., were the compounds with the highest potential. They significantly inhibited c-Met by 55.3, 53.0 and 51.3%, resp., at the concentration of 25 μM. Synthetic compounds showed antiproliferative effects against lung (EBC-1) and pancreatic cancer cells (AsPc-1, Suit-2 and Mia-PaCa-2) expressing different levels of c-Met, with IC50 values as low as 3.0 μM measured by sulforhodamine B assay. Active derivatives significantly blocked c-Met phosphorylation, inhibited cell growth in three-dimensional spheroid cultures and also induced apoptosis as revealed by Annexin V/propidium iodide flow cytometric assay in AsPc-1 cells. They also inhibited PDGFRA and FLT3 at 25 μM among a panel of 16 kinases. Mol. docking and dynamics simulation studies corroborated the exptl. findings and revealed possible binding modes of the select derivatives with target receptor tyrosine kinases. The results of this study show that some imidazopyridine derivatives bearing 1,2,3-triazole moiety could be promising molecularly targeted anticancer agents against lung and pancreatic cancers.

70-23-5, Ethyl bromopyruvate molecular formula is C5H7BrO3 and its molecular weight is 195.01 g/mol. The purity is usually 95%.

Ethyl bromopyruvate is used in a synthesis of thioxothiazolidines from carbon disulfide and primary amines.

Ethyl bromopyruvate is a chemical inhibitor that inhibits the enzyme pyruvate dehydrogenase, which is responsible for the conversion of pyruvic acid to acetyl-CoA. This inhibition leads to a decrease in ATP levels and can cause metabolic disorders. Ethyl bromopyruvate is used as an anthelmintic drug and in asymmetric synthesis. It is also used in the synthesis of thiostrepton, an antibiotic that has been shown to have antimicrobial activity against Gram-positive bacteria, including Staphylococcus aureus and Streptococcus pneumoniae., Product Details of C5H7BrO3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. 6911-87-1, formula is C7H8BrN, Name is 4-Bromo-N-methylaniline. Organobromine compounds have fallen under increased scrutiny for their environmental impact., Name: 4-Bromo-N-methylaniline.

Daneshmand, Pargol;Rosca, Sorin-Claudiu;Dalhoff, Rosalie;Yin, Kejun;DiPucchio, Rebecca C.;Ivanovich, Ryan A.;Polat, Dilan E.;Beauchemin, Andre M.;Schafer, Laurel L. research published 《 Cyclic Ureate Tantalum Catalyst for Preferential Hydroaminoalkylation with Aliphatic Amines: Mechanistic Insights into Substrate Controlled Reactivity》, the research content is summarized as follows. The efficient and catalytic amination of unactivated alkenes with simple secondary alkyl amines is preferentially achieved. A sterically accessible, N,O-chelated cyclic ureate tantalum catalyst was prepared and characterized by X-ray crystallog. This optimized catalyst can be used for the hydroaminoalkylation of 1-octene with a variety of aryl and alkyl amines, but notably enhanced catalytic activity can be realized with challenging N-alkyl secondary amine substrates. This catalyst offers turnover frequencies of up to 60 h^-1, affording full conversion at 5 mol% catalyst loading in approx. 20 min with these nucleophilic amines. Mechanistic investigations, including kinetic isotope effect (KIE) studies, reveal that catalytic turnover is limited by protonolysis of the intermediate 5-membered azametallacycle. A Hammett kinetic anal. shows that catalytic turnover is promoted by electron rich amine substrates that enable catalytic turnover. This more active catalyst is shown to be effective for late stage drug modification.

Name: 4-Bromo-N-methylaniline, 4-Bromo-N-methylaniline is a aniline based compound known to exhibit mutagenic properties.
4-Bromo-N-methylaniline is a useful research compound. Its molecular formula is C7H8BrN and its molecular weight is 186.05 g/mol. The purity is usually 95%.
4-Bromophenylmethylamine is an organic compound that has anti-inflammatory properties and is used as a pharmaceutical. It belongs to the group of amines. The hydrolysis of 4-bromophenylmethylamine by hydrochloric acid produces phenol and bromamine (NHBr). The reaction system can be used to synthesize a number of compounds, including anilines, benzofurans, and other aromatic compounds. 4-Bromophenylmethylamine reacts with muscle tissue in a similar manner as acetaminophen does. This drug also has been shown to have significant effects on the energy metabolism in the muscles of rats that are given carbon source., 6911-87-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Organic compounds having carbon bonded to bromine are called organic bromides. 6911-87-1, formula is C7H8BrN, Name is 4-Bromo-N-methylaniline. Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Synthetic Route of 6911-87-1.

Cheng, Hanchao;Lam, Tsz-Lung;Liu, Yungen;Tang, Zhou;Che, Chi-Ming research published 《 Photoinduced Hydroarylation and Cyclization of Alkenes with Luminescent Platinum(II) Complexes》, the research content is summarized as follows. Photoinduced hydroarylation of alkenes is an appealing synthetic strategy for arene functionalization. Herein, we demonstrated that aryl radicals generated from electron-deficient aryl chlorides/bromides could be trapped by an array of terminal/internal aryl alkenes in the presence of [Pt(ON̂ĈN̂)] under visible-light (410 nm) irradiation, affording anti-Markonikov hydroarylated compounds in up to 95% yield. Besides, a protocol for [Pt(ON̂ĈN̂)]-catalyzed intramol. photocyclization of acrylanilides to give structurally diverse 3,4-dihydroquinolinones has been developed.

Synthetic Route of 6911-87-1, 4-Bromo-N-methylaniline is a aniline based compound known to exhibit mutagenic properties.
4-Bromo-N-methylaniline is a useful research compound. Its molecular formula is C7H8BrN and its molecular weight is 186.05 g/mol. The purity is usually 95%.
4-Bromophenylmethylamine is an organic compound that has anti-inflammatory properties and is used as a pharmaceutical. It belongs to the group of amines. The hydrolysis of 4-bromophenylmethylamine by hydrochloric acid produces phenol and bromamine (NHBr). The reaction system can be used to synthesize a number of compounds, including anilines, benzofurans, and other aromatic compounds. 4-Bromophenylmethylamine reacts with muscle tissue in a similar manner as acetaminophen does. This drug also has been shown to have significant effects on the energy metabolism in the muscles of rats that are given carbon source., 6911-87-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Vinyl bromides undergo the Heck reaction, which involves C-C coupling with alkene to give substituted alkenes. 4897-84-1, formula is C5H9BrO2, Name is Methyl 4-bromobutanoate. Methyl bromide is a precursor in the manufacture of several chemicals and is employed as a soil sterilant, mainly for seed production. Electric Literature of 4897-84-1.

Cheng, Junfei;Li, Yu;Wang, Xu;Dong, Guoqiang;Sheng, Chunquan research published 《 Discovery of Novel PDEδ Degraders for the Treatment of KRAS Mutant Colorectal Cancer》, the research content is summarized as follows. KRAS-PDEδ protein-protein interaction represents an appealing target for cancer therapy. However, fast release of high-affinity inhibitors from PDEδ hampered drug binding affinity and antiproliferative activity. To overcome the limitations, the first proteolysis-targeting chimeric (PROTAC) small mols. targeting PDEδ were designed. By employment of PDEδ inhibitor deltazinone (2) and cereblon ligand pomalidomide (6), a series of potent PROTAC PDEδ degraders were obtained. The most promising compound 17f(I) efficiently induced PDEδ degradation and demonstrated significantly improved antiproliferative potency in KRAS mutant SW480 cells. Compound 17f also achieved significant tumor growth inhibition in the SW480 colorectal cancer xenograft model. This proof-of-concept study provided a new strategy to validate the druggability of KRAS-PDEδ interaction and offered an effective lead compound for the treatment of KRAS mutant cancer.

Electric Literature of 4897-84-1, Methyl 4-bromobutyrate,also as known as 4-Bromobutyric acid methyl ester, is a useful research compound. Its molecular formula is C5H9BrO2 and its molecular weight is 181.03 g/mol. The purity is usually 95%.
4-Bromobutyric acid methyl ester is a synthetic compound that can be used to inhibit the activity of the G1 phase cyclin-dependent kinases. It has been shown to inhibit protein synthesis by alkylating the amino groups of proteins and fatty acids. 4-Bromobutyric acid methyl ester also inhibits the growth of cancer cell lines, such as renal carcinoma cells. The mechanism of action for this drug is not well understood, but it may be due to its ability to bind with monoclonal antibodies and enter kidney cells by passive diffusion., 4897-84-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides. 5445-17-0, formula is C4H7BrO2, Name is Methyl 2-bromopropanoate. Organic compounds having carbon bonded to bromine are called organic bromides. Safety of Methyl 2-bromopropanoate.

Chin, Kek Foo;Ye, Xinyi;Li, Yongxin;Lee, Richmond;Kabylda, Adil M.;Leow, Dasheng;Zhang, Xin;Xia Ang, Esther Cai;Tan, Choon-Hong research published 《 Bisguanidinium-Catalyzed Epoxidation of Allylic and Homoallylic Amines under Phase Transfer Conditions》, the research content is summarized as follows. A highly enantioselective epoxidation reaction of allylic and homoallylic amines has been disclosed using an ion pair catalyst, which consists of chiral cationic bisguanidinium [BG]²⁺ and an achiral tetraperoxyditungstate anion [W₂O₂(μ-O)(O₂)₄]^2-. The terminal oxidant is a stoichiometric amount of aqueous hydrogen peroxide, an environmentally benign reagent. Up to 96% enantiomeric excess and 99% yields were achieved for 1,1′-disubstituted and 1,2-disubstituted allylic protected amines and 1,2-disubstituted homoallylic protected amines. The identity of the ion pair catalyst was uncovered using X-ray crystallog. and revealed that the achiral tetraperoxyditungstate anion species [W₂O₂(μ-O)(O₂)₄]^2- is nudged nicely into the central cavity of the chiral dication. The ion pair catalyst was also characterized using IR (IR) and Raman spectroscopies. The synthesis of (-)-venlafaxine was achieved via this reported methodol. to demonstrate its usefulness.

Safety of Methyl 2-bromopropanoate, Methyl 2-bromopropionate, also known as Methyl 2-bromopropionate, is a useful research compound. Its molecular formula is C4H7BrO2 and its molecular weight is 167 g/mol. The purity is usually 95%.
Methyl 2-bromopropionate is used in the synthesis of poly(ADP-Ribose)polymerase inhibitors derived from benzoxazin-3-one. Also used in the synthesis of 5-HT2C antagonists affecting serotonin levels.
Methyl 2-bromopropanoate is a chemical compound that can be synthesized in an asymmetric manner. The reaction of methyl 2-bromopropanoate with hydrochloric acid gives the corresponding carboxylic acid, methyl propanoate, and hydrogen bromide in a 1:1 ratio. It has been shown that methyl 2-bromopropanoate is a potential catalyst for the reduction of chloride to chloride ion via the borohydride reduction method. Methyl 2-bromopropanoate has also been used as a model system for studying halides and copper complexes. Magnetic resonance spectroscopy studies have revealed that this chemical compound has a high redox potential and kinetic properties., 5445-17-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Vinyl bromides undergo the Heck reaction, which involves C-C coupling with alkene to give substituted alkenes. 5445-17-0, formula is C4H7BrO2, Name is Methyl 2-bromopropanoate. Methyl bromide is a precursor in the manufacture of several chemicals and is employed as a soil sterilant, mainly for seed production. Product Details of C4H7BrO2.

Cho, Nobuo;Kikuzato, Ko;Futamura, Yushi;Shimizu, Takeshi;Hayase, Hiroki;Kamisaka, Kikuko;Takaya, Daisuke;Yuki, Hitomi;Honma, Teruki;Niikura, Mamoru;Kobayashi, Fumie;Watanabe, Nobumoto;Osada, Hiroyuki;Koyama, Hiroo research published 《 New antimalarials identified by a cell-based phenotypic approach: Structure-activity relationships of 2,3,4,9-tetrahydro-1H-β-carboline derivatives possessing a 2-((coumarin-5-yl)oxy)alkanoyl moiety》, the research content is summarized as follows. The identification, structure-activity relationships (SARs) and biol. effects of new antimalarials I [R = Me, Et, cyclopropylmethyl, etc.; R¹ = Me, Et, Pr, etc.; R² = H; R³ = C(O)OMe, C(O)Me, C(O)NHMe, etc.; R⁴ = H, Me, morpholin-4-yl] consisting of a 2,3,4,9-tetrahydro-1H-β-carboline core, a coumarin ring and an oxyalkanoyl linker was described. A cell-based phenotypic approach was employed in this search for novel antimalarial drugs with unique modes of action. This screening campaign of the RIKEN compound library succeeded in the identification of the known tetrahydro-β-carboline derivative I [R = n-Bu, R¹ = H, R² = H, R³ = C(O)OMe, R4 = Me] as a hit compound showing significant in vitro activity. SAR studies on this chem. series led to the discovery of compound I [R = n-Bu, R¹ = (R)-Me, R² = H, R³ = (S)-C(O)OMe, R⁴ = Me] having a (R)-Me group on the oxyacetyl linker with potent inhibition of parasite growth (IC₅₀ = 2.0 nM). Compound I [R = n-Bu, R¹ = (R)-Me, R² = H, R³ = (S)-C(O)OMe, R⁴ = Me] was also found to exhibit significant in vivo antimalarial effects in mouse models. Furthermore, mol. modeling studies on compounds I [R = n-Bu, R¹ = H, (R/S)-Me, R² = H, R³ = (S)-C(O)OMe, R⁴ = Me] suggested that the (R)-Me group of 4h forces the preferential adoption of a specific conformer which was considered to be an active conformer.

Product Details of C4H7BrO2, Methyl 2-bromopropionate, also known as Methyl 2-bromopropionate, is a useful research compound. Its molecular formula is C4H7BrO2 and its molecular weight is 167 g/mol. The purity is usually 95%.
Methyl 2-bromopropionate is used in the synthesis of poly(ADP-Ribose)polymerase inhibitors derived from benzoxazin-3-one. Also used in the synthesis of 5-HT2C antagonists affecting serotonin levels.
Methyl 2-bromopropanoate is a chemical compound that can be synthesized in an asymmetric manner. The reaction of methyl 2-bromopropanoate with hydrochloric acid gives the corresponding carboxylic acid, methyl propanoate, and hydrogen bromide in a 1:1 ratio. It has been shown that methyl 2-bromopropanoate is a potential catalyst for the reduction of chloride to chloride ion via the borohydride reduction method. Methyl 2-bromopropanoate has also been used as a model system for studying halides and copper complexes. Magnetic resonance spectroscopy studies have revealed that this chemical compound has a high redox potential and kinetic properties., 5445-17-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides. 5445-17-0, formula is C4H7BrO2, Name is Methyl 2-bromopropanoate. Organic compounds having carbon bonded to bromine are called organic bromides. Electric Literature of 5445-17-0.

Choi, Isaac;Mueller, Valentin;Wang, Yanhui;Xue, Kai;Kuniyil, Rositha;Andreas, Loren B.;Karius, Volker;Alauzun, Johan G.;Ackermann, Lutz research published 《 Recyclable Ruthenium Catalyst for Distal meta-C-H Activation》, the research content is summarized as follows. The unprecedented hybrid-ruthenium catalysis for distal meta-C-H activation was disclosed. The hybrid-ruthenium catalyst was recyclable, as was proven by various heterogeneity tests, and fully characterized with various microscopic and spectroscopic techniques, highlighting the phys. and chem. stability. Thereby, the hybrid-ruthenium catalysis proved broadly applicable for meta-C-H alkylations of among others purine-based nucleosides and natural product conjugates. Addnl., its versatility was further reflected by meta-C-H activations through visible-light irradiation, as well as para-selective C-H activations.

5445-17-0, Methyl 2-bromopropionate, also known as Methyl 2-bromopropionate, is a useful research compound. Its molecular formula is C4H7BrO2 and its molecular weight is 167 g/mol. The purity is usually 95%.
Methyl 2-bromopropionate is used in the synthesis of poly(ADP-Ribose)polymerase inhibitors derived from benzoxazin-3-one. Also used in the synthesis of 5-HT2C antagonists affecting serotonin levels.
Methyl 2-bromopropanoate is a chemical compound that can be synthesized in an asymmetric manner. The reaction of methyl 2-bromopropanoate with hydrochloric acid gives the corresponding carboxylic acid, methyl propanoate, and hydrogen bromide in a 1:1 ratio. It has been shown that methyl 2-bromopropanoate is a potential catalyst for the reduction of chloride to chloride ion via the borohydride reduction method. Methyl 2-bromopropanoate has also been used as a model system for studying halides and copper complexes. Magnetic resonance spectroscopy studies have revealed that this chemical compound has a high redox potential and kinetic properties., Electric Literature of 5445-17-0

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Organobromine compounds, also called organobromides, are organic compounds that contain carbon bonded to bromine. 4224-70-8, formula is C6H11BrO2, The most pervasive is the naturally produced bromomethane. Related Products of 4224-70-8

Choi, Peter J.;Cooper, Elizabeth A.;Park, Thomas I.-H.;Denny, William A.;Jose, Jiney research published 《 Novel synthetic approach for accessing drug-dye conjugates for targeted tumour therapy》, the research content is summarized as follows. The use of heptamethine cyanine dyes (HMCD) as a vehicle for targeted delivery of drugs to cancer tissues shows promise. The synthesis of drug-dye conjugates is hampered by scalability and purification issues. Herein we disclose synthetic procedure to procure such drug-dye conjugates that avoid the formation of undesired side products. This novel procedure also avoids the use of HPLC, thereby improving the yield and scalability of such drug-dye conjugates. Improving the atom-efficient coupling of drugs to HMCDs, will facilitate the clin. translation of HMCDs as a drug-delivery system for targeted tumor therapies.

Related Products of 4224-70-8, 6-bromohexanoic acid is an organobromine compound comprising hexanoic acid having a bromo substituent at the 6-position. It derives from a hexanoic acid.
6-Bromohexanoic acid is a useful research compound. Its molecular formula is C6H11BrO2 and its molecular weight is 195.05 g/mol. The purity is usually 95%.
6-Bromohexanoic acid is useful for the preparation of anti-CTLA4 compounds as antitumor agents.
6-Bromohexanoic acid is a fatty acid that has been shown to be an effective agent for the treatment of cancer. It is used in gene therapy to inhibit the growth of cancer cells by binding to and then activating transcription factors. 6-Bromohexanoic acid can also be used as a chemotherapeutic agent and has been shown to cause apoptosis in monoclonal antibody-treated cells. 6-Bromohexanoic acid has pharmacokinetic properties that are similar to those of other fatty acids. The reaction solution was found to have high chemical stability, which may be due to the presence of nitrogen atoms. This reaction solution was found to adsorb onto the surface of monoclonal antibodies and cell culture, altering their properties., 4224-70-8.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Vinyl bromides undergo the Heck reaction, which involves C-C coupling with alkene to give substituted alkenes. 4224-70-8, formula is C6H11BrO2, Name is 6-Bromohexanoic acid. Methyl bromide is a precursor in the manufacture of several chemicals and is employed as a soil sterilant, mainly for seed production. Electric Literature of 4224-70-8.

Choi, Peter Jaein;Tomek, Petr;Tercel, Moana;Reynisson, Johannes;Park, Thomas In Hyeup;Cooper, Elizabeth Alexandra;Denny, William Alexander;Jose, Jiney;Leung, Euphemia research published 《 Conjugation of Palbociclib with MHI-148 Has an Increased Cytotoxic Effect for Breast Cancer Cells and an Altered Mechanism of Action》, the research content is summarized as follows. The CDK4/6 inhibitor palbociclib, combined with endocrine therapy, has been shown to be effective in postmenopausal women with estrogen receptor-pos., HER2-neg. advanced or metastatic breast cancer. However, palbociclib is not as effective in the highly aggressive, triple-neg. breast cancer that lacks sensitivity to chemotherapy or endocrine therapy. We hypothesized that conjugation of the near-IR dye MHI-148 with palbociclib can produce a potential theranostic in triple-neg., as well as estrogen receptor-pos., breast cancer cells. In our study, the conjugate was found to have enhanced activity in all mammalian cell lines tested in vitro. However, the conjugate was cytotoxic and did not induce G1 cell cycle arrest in breast cancer cells, suggesting its mechanism of action differs from the parent compound palbociclib. The study highlights the importance of investigating the mechanism of conjugates of near-IR dyes to therapeutic compounds, as conjugation can potentially result in a change of mechanism or target, with an enhanced cytotoxic effect in this case.

Electric Literature of 4224-70-8, 6-bromohexanoic acid is an organobromine compound comprising hexanoic acid having a bromo substituent at the 6-position. It derives from a hexanoic acid.
6-Bromohexanoic acid is a useful research compound. Its molecular formula is C6H11BrO2 and its molecular weight is 195.05 g/mol. The purity is usually 95%.
6-Bromohexanoic acid is useful for the preparation of anti-CTLA4 compounds as antitumor agents.
6-Bromohexanoic acid is a fatty acid that has been shown to be an effective agent for the treatment of cancer. It is used in gene therapy to inhibit the growth of cancer cells by binding to and then activating transcription factors. 6-Bromohexanoic acid can also be used as a chemotherapeutic agent and has been shown to cause apoptosis in monoclonal antibody-treated cells. 6-Bromohexanoic acid has pharmacokinetic properties that are similar to those of other fatty acids. The reaction solution was found to have high chemical stability, which may be due to the presence of nitrogen atoms. This reaction solution was found to adsorb onto the surface of monoclonal antibodies and cell culture, altering their properties., 4224-70-8.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine. 629-04-9, formula is C7H15Br, Name is 1-Bromoheptane, Safety of 1-Bromoheptane

Congdon, Molly;Fritzemeier, Russell G.;Kharel, Yugesh;Brown, Anne M.;Serbulea, Vlad;Bevan, David R.;Lynch, Kevin R.;Santos, Webster L. research published 《 Probing the substitution pattern of indole-based scaffold reveals potent and selective sphingosine kinase 2 inhibitors》, the research content is summarized as follows. Elevated levels of sphingosine 1-phosphate (S1P) and increased expression of sphingosine kinase isoforms (SphK1 and SphK2) have been implicated in a variety of disease states including cancer, inflammation, and autoimmunity. Selective inhibition of either SphK1 or SphK2 has been demonstrated to be effective in modulating S1P levels in animal models. Previously, authors reported a SphK2 naphthalene-based selective inhibitor, (R)-2-(3-(7-(pentyloxy)naphthalen-2-yl)-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide hydrochloride, which displays approx. 7-fold selectivity for hSphK2 over hSphK1 and has a SphK2 K_i value of 1.0μM. To improve SphK2 potency and selectivity, author’s designed, synthesized, and evaluated a series of indole-based compounds derived from (R)-2-(3-(7-(pentyloxy)naphthalen-2-yl)-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide hydrochloride. After investigating substitution patterns around the indole ring, author’s discovered that 1,5-disubstitution promoted optimal binding in the SphK2 substrate binding site and subsequent inhibition of enzymic activity. Author’s studies led to the identification of I (SphK2 Ki = 90 nM, >110 fold selective for SphK2 over SphK1). Mol. modeling studies revealed key nonpolar interactions with Val308, Phe548, His556, and Cys533 and hydrogen bonds with both Asp211 and Asp308 as responsible for the high SphK2 inhibition and selectivity.

Safety of 1-Bromoheptane, 1-Bromoheptane is a useful research compound. Its molecular formula is C7H15Br and its molecular weight is 179.1 g/mol. The purity is usually 95%.
1-Bromoheptane is a reagent that is used for the preparation of alkylthiophienylzinc chloride.
1-Bromoheptane is a reactive compound that is used in the preparation of p-hydroxybenzoic acid, which is an intermediate in the synthesis of many natural compounds. 1-Bromoheptane has been shown to have biological properties and to inhibit mitochondrial membrane potential. It also causes cell lysis and hepatic steatosis in mice. This compound has been shown to inhibit the activity of enzymes such as acetylcholinesterase, butyrylcholinesterase, and carboxylesterase. 1-Bromoheptane can be used as a model for studying the effects on congestive heart failure by increasing cardiac workloads or decreasing myocardial contractility., 629-04-9.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary