Tag: 100-200

Tuning the activity of known drugs via the introduction of halogen atoms, a case study of SERT ligands – Fluoxetine and fluvoxamine was written by Staron, Jakub;Pietrus, Wojciech;Bugno, Ryszard;Kurczab, Rafal;Satala, Grzegorz;Warszycki, Dawid;Lenda, Tomasz;Wantuch, Anna;Hogendorf, Adam S.;Hogendorf, Agata;Duszynska, Beata;Bojarski, Andrzej J.. And the article was included in European Journal of Medicinal Chemistry in 2021.Recommanded Product: 4457-67-4 This article mentions the following:

To elucidate the role of halogen atoms in the binding of SSRIs to SERT, a series of 22 fluoxetine and fluvoxamine analogs substituted with fluorine, chlorine, bromine, and iodine atoms, differently arranged on the Ph ring was designed. The obtained biol. activity data, supported by a thorough in silico binding mode anal., allowed the identification of two partners for halogen bond interactions: the backbone carbonyl oxygen atoms of E493 and T497. Addnl., compounds with heavier halogen atoms were found to bind with the SERT via a distinctly different binding mode, a result not presented elsewhere. The subsequent anal. of the prepared XSAR sets showed that E493 and T497 participated in the largest number of formed halogen bonds. The XSAR library anal. led to the synthesis of two of the most active compounds (3,4-diCl-fluoxetine, SERT K_i = 5 nM and 3,4-diCl-fluvoxamine, SERT K_i = 9 nM, fluoxetine SERT K_i = 31 nM, fluvoxamine SERT K_i = 458 nM). An example of the successful use of a rational methodol. was presented to analyze binding and design more active compounds by halogen atom introduction. ‘XSAR library anal.’, a new tool in medicinal chem., was instrumental in identifying optimal halogen atom substitution. In the experiment, the researchers used many compounds, for example, 1-Bromo-4-methoxybutane (cas: 4457-67-4Recommanded Product: 4457-67-4).

1-Bromo-4-methoxybutane (cas: 4457-67-4) belongs to organobromine compounds. Most of the natural organobromine compounds are produced by marine organisms, and several brominated metabolites with antibacterial, antitumor, antiviral, and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. When the molecular ion is detected, the bromine and chlorine isotope patterns are very distinct, but caution is to be exercised for certain mixed chlorinated/brominated compounds, which can look similar to homohalogen patterns.Recommanded Product: 4457-67-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis and Reactivity of Cobalt-Dinitrogen Complexes Bearing Anionic PCP-Type Pincer Ligands toward Catalytic Silylamine Formation from Dinitrogen was written by Kuriyama, Shogo;Wei, Shenglan;Tanaka, Hiromasa;Konomi, Asuka;Yoshizawa, Kazunari;Nishibayashi, Yoshiaki. And the article was included in Inorganic Chemistry in 2022.Product Details of 128-08-5 This article mentions the following:

A series of cobalt(I)-dinitrogen complexes bearing anionic 4-substituted benzene-based PCP-type pincer ligands are synthesized and characterized. These complexes work as highly efficient catalysts for the formation of silylamine from dinitrogen under ambient reaction conditions to produce up to 371 equiv of silylamine based on the cobalt atom of the catalyst. In the experiment, the researchers used many compounds, for example, 1-Bromopyrrolidine-2,5-dione (cas: 128-08-5Product Details of 128-08-5).

1-Bromopyrrolidine-2,5-dione (cas: 128-08-5) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Product Details of 128-08-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Selective ET_A Antagonists. 5. Discovery and Structure-Activity Relationships of Phenoxyphenylacetic Acid Derivatives was written by Astles, Peter C.;Brown, Thomas J.;Halley, Frank;Handscombe, Caroline M.;Harris, Neil V.;Majid, Tahir N.;McCarthy, Clive;McLay, Iain M.;Morley, Andrew;Porter, Barry;Roach, Alan G.;Sargent, Carol;Smith, Christopher;Walsh, Roger J. A.. And the article was included in Journal of Medicinal Chemistry in 2000.SDS of cas: 83902-02-7 This article mentions the following:

The fifth paper in this series describes the culmination of our investigations into the development of a potent and selective ET_A receptor antagonist for the treatment of diseases mediated by ET-1. Receptor site mapping of several ET_A antagonists prepared previously identified a common cationic binding site which prompted synthesis of phenoxyphenylacetic acid derivative 13a, which showed good in vitro activity (IC₅₀ 59 nM, rat aortic ET_A). Optimization of 13a led to the identification of 27b, which exhibited an IC₅₀ of 4 nM. Although this did not translate into the expected in vivo potency, a compound of comparable in vitro activity, 27a (RPR118031A), showed a far better pharmacokinetic profile and in vivo potency (75 娓璵ol/kg) and was duly proposed and accepted as a development candidate. In the experiment, the researchers used many compounds, for example, 2-(Bromomethyl)-1,3-dimethylbenzene (cas: 83902-02-7SDS of cas: 83902-02-7).

2-(Bromomethyl)-1,3-dimethylbenzene (cas: 83902-02-7) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. 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.SDS of cas: 83902-02-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis of a new antidepressant, fluvoxamine maleate was written by Yu, Bing;Wu, Fanhong. And the article was included in Zhongguo Yaowu Huaxue Zazhi in 2004.SDS of cas: 4457-67-4 This article mentions the following:

Fluvoxamine maleate was synthesized using Et benzoate as the starting material via four steps: substitution reaction, aminolysis, hydrolysis and salt formation. The target compound was identified by IR and ¹H-NMR, and the overall yield was 51%. The preparative method of N-(2-bromoethyl) phthalimide was improved. In the experiment, the researchers used many compounds, for example, 1-Bromo-4-methoxybutane (cas: 4457-67-4SDS of cas: 4457-67-4).

1-Bromo-4-methoxybutane (cas: 4457-67-4) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon閳ユ彽romine bond is electrophilic, i.e. alkyl bromides are alkylating agents. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. SDS of cas: 4457-67-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The nickel(II)-catalyzed direct benzylation, allylation, alkylation, and methylation of C-H bonds in aromatic amides containing an 8-aminoquinoline moiety as the directing group was written by Aihara, Yoshinori;Wuelbern, Jendrik;Chatani, Naoto. And the article was included in Bulletin of the Chemical Society of Japan in 2015.Related Products of 4457-67-4 This article mentions the following:

Direct alkylation via the cleavage of the ortho C-H bonds by a nickel-catalyzed reaction of aromatic amides containing an 8-aminoquinoline moiety as the directing group with alkyl halides is reported. Various alkyl halides, including benzyl, allyl, alkyl, and Me halides (or pseudo halides) participate as electrophilic coupling partners. The reaction shows a high functional group compatibility. The reaction proceeds in a highly regioselective manner at the less hindered C-H bonds in the reaction of meta-substituted aromatic amides, irresp. of the electronic nature of the substituent. The mechanism responsible for the C-H alkylation reaction is discussed based on the results obtained in a variety of mechanistic experiments In the experiment, the researchers used many compounds, for example, 1-Bromo-4-methoxybutane (cas: 4457-67-4Related Products of 4457-67-4).

1-Bromo-4-methoxybutane (cas: 4457-67-4) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon鑱砨romine bond is electrophilic in nature. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Related Products of 4457-67-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Organophosphorus compounds. 109. Synthesis of fluorescent reagents with chemically selective anchor groups was written by Horner, Leopold;Hallenbach, Werner. And the article was included in Phosphorus and Sulfur and the Related Elements in 1984.Name: 1-Bromo-4-methoxybutane This article mentions the following:

About 20 title compounds were prepared Thus acridine was alkylated with RO(CH₂)_nLi (R = Me, Et, tetrahydropyranyl; n = 3, 4, 6) to give dihydroacridines I, which were oxidized to give alkylacridines II (R¹ = OMe, OEt, OH). II (R¹ = OH; n = 2, 3, 4, 6) reacted with ClP(O)MeR² (R² = OEt, F) to give II [R¹ = OP(O)MeR²]. II [R¹ = OP(O)MeF, n = 4] and serine derivative HOCH₂CH(CO₂H)NHCO₂CMe₃ gave II [R¹ = OP(O)MeOCH₂CH(CO₂H)NHCO₂CMe₃]. Bromoalkylacridines II (R¹ = Br; n = 2, 3, 4, 6) and NaP(O)(OR³)₂ (R³ = Et, Bu) gave II [R¹ = P(O)(OR³)₂]. In the experiment, the researchers used many compounds, for example, 1-Bromo-4-methoxybutane (cas: 4457-67-4Name: 1-Bromo-4-methoxybutane).

1-Bromo-4-methoxybutane (cas: 4457-67-4) belongs to organobromine compounds. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. When the molecular ion is detected, the bromine and chlorine isotope patterns are very distinct, but caution is to be exercised for certain mixed chlorinated/brominated compounds, which can look similar to homohalogen patterns.Name: 1-Bromo-4-methoxybutane

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Non-steroidal aromatase inhibitors based on a biphenyl scaffold: synthesis, in vitro SAR, and molecular modelling was written by Jackson, Toby;Woo, L. W. Lawrence;Trusselle, Melanie N.;Purohit, Atul;Reed, Michael J.;Potter, Barry V. L.. And the article was included in ChemMedChem in 2008.Electric Literature of C7H6BrF This article mentions the following:

The synthesis and in vitro biol. evaluation (JEG-3 cells) of a series of novel and potent aromatase inhibitors, prepared by microwave-enhanced Suzuki cross-coupling methodol., are reported. These compounds possess a biphenyl template incorporated with the haem-ligating triazolylmethyl moiety, either on its own or in combination with other substituent(s) at various positions on the Ph rings. The most potent aromatase inhibitor reported herein has an IC₅₀ value of 0.12 nM, although seven of its congeners are also highly potent (IC₅₀ 閳?0.5 nM). They all bear the (5-triazolylmethyl-2-cyano)biphenyl structural motif. Docking of representative compounds into a homol. model of human aromatase assists in the rationalisation of the SAR derived from the in vitro biol. results and supports a crucial role for a cyano group on the “A” Ph ring, which is accessible to hydrogen bond interactions with Ser478. Further development of these compounds as potential therapeutic agents for the treatment of hormone-dependent breast cancer is warranted given the high level of potency observed for this class of aromatase inhibitor in vitro. In the experiment, the researchers used many compounds, for example, 3-Bromo-4-fluorotoluene (cas: 452-62-0Electric Literature of C7H6BrF).

3-Bromo-4-fluorotoluene (cas: 452-62-0) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon鑱砨romine bond is electrophilic in nature. 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.Electric Literature of C7H6BrF

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Deciphering a novel chloramphenicols resistance mechanism: Oxidative inactivation of the propanediol pharmacophore was written by Zhang, Jiayu;Yang, Chao;Hu, Jiahui;Zhang, Yiting;Lai, Yuezheng;Gong, Hongri;Guo, Fangliang;Li, Xiaoyan;Ye, Lin;Li, Bing. And the article was included in Water Research in 2022.Category: bromides-buliding-blocks This article mentions the following:

Expanding knowledge about new types of antibiotic resistance genes is of great significance in dealing with the global antibiotic resistance crisis. Herein, a novel oxidoreductase capO was discovered to be responsible for oxidative inactivation of chloramphenicol and thiamphenicol. The antibiotic resistance mechanism was comprehensively deciphered using multi-omics and multiscale computational approaches. A 66,383 bp DNA fragment carrying capO was shared among four chloramphenicol-resistant strains, and the co-occurrence of capO with a mobile genetic element cluster revealed its potential mobility among different taxa. Metagenomic anal. of 772 datasets indicated that chloramphenicol was the crucial driving factor for the development and accumulation of capO in activated sludge bioreactors treating antibiotic production wastewater. Therefore, we should pay sufficient attention to its possible prevalence and transfer to pathogens, especially in some hotspot environments contaminated with high concentrations of chloramphenicols. This finding significantly expands our knowledge boundary about chloramphenicols resistance mechanisms. In the experiment, the researchers used many compounds, for example, 1-Bromopyrrolidine-2,5-dione (cas: 128-08-5Category: bromides-buliding-blocks).

1-Bromopyrrolidine-2,5-dione (cas: 128-08-5) belongs to organobromine compounds. Most of the natural organobromine compounds are produced by marine organisms, and several brominated metabolites with antibacterial, antitumor, antiviral, and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Metal free synthesis of Coumarin containing hetero[n]helicene like molecules with TICT and AIE properties was written by Soni, Rina;Soman, Shubhangi S.. And the article was included in Asian Journal of Organic Chemistry in 2022.Safety of 1-Bromopyrrolidine-2,5-dione This article mentions the following:

Coumarin containing hetero[n]helicene like mols. were synthesized using three component Povarov reaction followed by two dehydrogenation steps in good yields. Synthesis and photophys. properties of coumarin containing multifunctional helicene like mols. were found to be affected by substitution on pendant Ph ring. Coumarin containing hetero[6]helicene like derivative 4-(4-nitrophenyl)-2H-benzo[f]benzo[5,6]chromeno[3,4-c]isoquinolin-2-one showed bright yellow emission in solution, thin film and solid state. Coumarin containing hetero[6]helicene like compound 4-(2-oxo-5,6-dihydro-2H-chromeno[3,4-c]naphtho[1,2-f]isoquinolin-4-yl)benzonitrile showed bright blue emission in solution, thin film, and solid state. The structures of intermediate compounds were confirmed by a single crystal X-ray anal. These structures were compared with DFT optimized structures for the helicity parameters. DFT calculations provided good correlation with observed photophys. properties of compounds 4-(4-Nitrophenyl)-2H-benzo[f]benzo[5,6]chromeno[3,4-c]isoquinolin-2-one and 4-(2-oxo-5,6-dihydro-2H-chromeno[3,4-c]naphtho[1,2-f]isoquinolin-4-yl)benzonitrile. In the experiment, the researchers used many compounds, for example, 1-Bromopyrrolidine-2,5-dione (cas: 128-08-5Safety of 1-Bromopyrrolidine-2,5-dione).

1-Bromopyrrolidine-2,5-dione (cas: 128-08-5) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.Safety of 1-Bromopyrrolidine-2,5-dione

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Design, synthesis and evaluation of N13-substituted evodiamine derivatives against human cancer cell lines was written by Song, Senchuan;Chen, Zhiyong;Li, Shaoxue;Huang, Yanmin;Wan, Yiqian;Song, Huacan. And the article was included in Molecules in 2013.Name: 1-Bromo-4-methoxybutane This article mentions the following:

Attempting to improve the anticancer activity and solubility of evodiamine in simulated gastric fluid (SGF) and simulated intestinal fluid (SIF) solutions, thirty-eight N13-substituted evodiamine derivatives were designed, synthesized and tested for antitumor activity against six kinds of human cancer cell lines, namely prostate cancer (DU-145 and PC-3), lung cancer (H460), breast cancer (MCF-7), colon cancer (HCT-5) and glioblastoma (SF-268). The solubility of these compounds in SGF and SIF solutions was evaluated and apoptosis induced the title compounds was determined The results showed that among all compounds examined, several showed the highest antitumor activity and a broader spectrum of activity, with IC50 values ranging from 1-2 娓璏. Their solubility was obviously improved and several compounds had a significant impact inducing apoptosis in some cancer cell lines. The preliminary structure-activity relationships of these derivatives were discussed. The synthesis of the target compounds was achieved by alkylation of (13bS)-8,13,13b,14-tetrahydro-14-(methyl)indolo[2′,3′:3,4]pyrido[2,1-b]quinazolin-5(7H)-one (evodiamine) with alkylation agents, such as alkyl bromides. In the experiment, the researchers used many compounds, for example, 1-Bromo-4-methoxybutane (cas: 4457-67-4Name: 1-Bromo-4-methoxybutane).

1-Bromo-4-methoxybutane (cas: 4457-67-4) belongs to organobromine compounds. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. Bromine-containing agents predominate because not only are they more efficient than similar chlorine-containing species, but also the high atomic weight of bromine ensures that it is present in a high mass fraction within most organobromine compounds.Name: 1-Bromo-4-methoxybutane

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary