Tag: M.W=200-300

Ma, Rui; Guo, Dong-Xiao; Li, Hui-Fen; Liu, Hui-Xiang; Zhang, Yun-Rui; Ji, Jian-Bo; Xing, Jie; Wang, Shu-Qi published the article 《Spectroscopic methodologies and molecular docking studies on the interaction of antimalarial drug piperaquine and its metabolites with human serum albumin》. Keywords: spectroscopy mol docking piperaquine metabolite interaction human serum albumin; Human serum albumin (HSA); Interaction; Metabolites; Molecular docking; Piperaquine.They researched the compound: 7-Chloro-4-(piperazin-1-yl)quinoline( cas:837-52-5 ).Application of 837-52-5. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:837-52-5) here.

Artemisinin-based combination therapy is widely used for the treatment of uncomplicated Plasmodium falciparum malaria, and piperaquine (PQ) is one of the important partner drugs. During the biotransformation of PQ, M1 (N-oxidation product), M2 (N-oxidation product), M3 (carboxylic acid product), M4 (N-dealkylation product), and M5 (N-oxidated product of M4) are formed by cytochrome P 450 pathways. Despite decades of clin. use, the interactions between PQ and its main metabolites (PQs) with human serum albumin (HSA) have not been reported. In the present study, the binding of PQs with HSA under physiol. conditions was investigated systematically through fluorescence, CD spectroscopy, and mol. docking methods. The exptl. results show that the intrinsic fluorescence quenching of HSA was induced by those compounds resulting from the formation of stable HSA-compound complexes. The main forces involved in the interactions between PQ, M1, and M2 which bind to HSA were hydrogen s and van der Waals forces, while the interactions of M3, M4, and M5 were driven by hydrophobic forces. The main binding sites of the compounds to HSA were also examined by classical fluorescent marker experiments and mol. docking studies. Binding constants (Kb) revealed that the affinities of the PQ, M1, M2, M3, and M4 to HSA were stronger than that of M5. Addnl., the binding rates of PQs with HSA were determined by ultrafiltration methods. Consistent with the binding constant results, the binding rate of M5 was lower than the binding rates of PQ, M1, M2, M3, and M4. Furthermore, PQs binding to HSA led to conformational and structural alterations of HSA, as revealed by multi-spectroscopic studies. In order to investigate one possible mechanism by which PQs inhibit the growth of malaria-causing Plasmodium parasites, 1H NMR spectroscopy was performed to investigate the interaction of the PQs with heme. This study is beneficial to enhance our understanding of the ecotoxicol. and environmental behaviors of PQ and its metabolites.

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Yi, Seungjoo; Lee, Won Kyu; Park, Ji-Ho; Lee, Jae-Seung; Seo, Ji-Hun published an article about the compound: 4,4-Dipyridyl Disulfide( cas:2645-22-9,SMILESS:C1(SSC2=CC=NC=C2)=CC=NC=C1 ).Safety of 4,4-Dipyridyl Disulfide. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:2645-22-9) through the article.

The goal of this study is to develop a simple one-pot method for the synthesis of a zwitterionic small mol. bearing disulfide moiety, which can effectively inhibit nonspecific protein adsorption on macroscopic and nanoscopic gold surfaces. To this end, the optimal mol. structure of a pyridine disulfide derivative was explored and a zwitterionic small mol. was successfully synthesized from the tertiary amine residue on the pyridine ring through a one-pot method. The coating conditions of the synthesized zwitterionic mols. on the gold surface were optimized through contact angle measurements, and the strong interactions between the gold surface and the disulfide moiety of the zwitterion small mol. were confirmed by surface plasmon resonance (SPR) anal. and XPS. The antibiofouling properties of the coated gold surface were analyzed by fluorescence microscopic observations after contacting with FITC-labeled bovine serum albumin (BSA) and SPR sensor as contacting with BSA solution In addition, the effect of zwitterion-coating on the salt stability of and protein adsorption on nanoscopic gold surfaces were examined through a NaCl stability test and BSA adsorption test, resp. From the obtained results, it was confirmed that the simply synthesized zwitterionic small mol. was effective in inhibiting nonspecific protein adsorption on macroscopic and nanoscopic gold surfaces; further, it enhanced the salt stability of gold nanoparticle surfaces.

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Quality Control of 6-Bromo-3-methyl-1H-indole. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 6-Bromo-3-methyl-1H-indole, is researched, Molecular C9H8BrN, CAS is 1219741-50-0, about Tandem Carbenoid C-H Functionalization/Conia-ene Cyclization of N-Propargyl Indoles Generates Pyrroloindoles under Cooperative Rh(II)/Zn(II) Catalysis. Author is Bhat, Aabid H.; Alavi, Sima; Grover, Huck K..

The decomposition of diazodicarbonyl compounds in the presence of various metal catalysts has become a reliable method for the functionalization of indoles via carbenoid intermediates. Exploiting the nucleophilic reactivity of the in situ generated malonic ester product formed, we herein report a tandem C-H functionalization/Conia-ene cyclization of N-alkyne tethered indoles. This double functionalization of diazodicarbonyls generates a range of pyrrolo[1,2-a]-, pyrido[1,2-a]-, and azepino[1,2-a]indole products with good synthetic efficiency.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 4,4-Dipyridyl Disulfide, is researched, Molecular C10H8N2S2, CAS is 2645-22-9, about The New Salicylaldehyde S,S-Propanedithioacetal Ester Enables N-to-C Sequential Native Chemical Ligation and Ser/Thr Ligation for Chemical Protein Synthesis, the main research direction is protein synthesis salcylaldehyde propanedithioacetal native chem ligation serine threonine; salcylaldehyde propanedithioacetal SPPS microwave NSL STL oxidation desulfurization; solid phase peptide synthesis reductive amination palmitoylation cyclization thiolysis; palmitoylated matrix ion channel influenza virus protein folding helix; interferon induced transmembrane protein palmitoylated synthesis.Application In Synthesis of 4,4-Dipyridyl Disulfide.

The combination of distinct peptide ligation techniques to facilitate chem. protein synthesis represents one of the long-standing goals in the field. A new combination ligation method of N-to-C sequential native chem. ligation and Ser/Thr ligation (NCL-STL) is described for the first time. This method relies on the peptide salcylaldehyde S,S-propanedithioacetal (SALPDT)-ester prepared by a new 1,3-propanedithiol-mediated reaction. The peptide SALPDT-ester, which is compatible with NCL, can be fully activated by N-chlorosuccinimide (NCS)/AgNO3 in aqueous solution to afford peptide SAL-ester for use in the subsequent STL. The practicality of the combined NCL-STL method is illustrated by the synthesis of S-palmitoylated matrix-2 ion channel from influenza A virus and S-palmitoylated interferon-induced transmembrane protein 3. This approach expands the multiple-segments peptide ligation toolkit for producing important and complex custom-made protein samples by chem. protein synthesis.

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Electric Literature of C8H15BrO2. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 8-Bromooctanoic acid, is researched, Molecular C8H15BrO2, CAS is 17696-11-6, about Location of the Positive Charges in Cationic Amphiphiles Modulates Their Mechanism of Action against Model Membranes. Author is Almeida, Marcio M.; Perez, Katia R.; Faig, Allison; Uhrich, Kathryn E.; Riske, Karin A..

Synthetic cationic amphiphiles (CAms) with physicochem. properties similar to antimicrobial peptides are promising mols. in the search for alternative antibiotics to which pathogens cannot easily develop resistance. Here, we investigate two types of CAms based on tartaric acid and containing two hydrophobic chains (of 7 or 11 carbons) and two pos. charges, located either at the end of the acyl chains (bola-like, B7 and B11) or at the tartaric acid backbone (gemini-like, G7 and G11). The interaction of the CAms with biomimetic membrane models (anionic and neutral liposomes) was studied with zeta potential and dynamic light scattering measurements, isothermal titration calorimetry, and a fluorescent-based leakage assay. We show that the type of mol. determines the mechanism of action of the CAms. Gemini-like mols. (G7 and G11) interact mainly via electrostatics (exothermic process) and reside in the external vesicle leaflet, altering substantially the vesicle surface potential but not causing significant membrane lysis. On the other hand, the interaction of bola-like CAms (B7 and B11) is endothermic and thus entropy-driven, and these mols. reach both membrane leaflets and cause substantial membrane permeabilization, likely after clustering of anionic lipids. The lytic ability is clearly higher against anionic membranes as compared with neutral membranes. Within each class of mol., longer alkyl chains (i.e., B11 and G11) exhibit higher affinity and lytic ability. Overall, the mol. B11 exhibits a high potential as antimicrobial agent, since it has a high membrane affinity and causes substantial membrane permeabilization.

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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Dongre, Vaijanath G.; Karmuse, Pravin P.; Ghugare, Pradeep D.; Gupta, Mukesh; Nerurkar, Bipin; Shaha, Chirag; Kumar, Ashok researched the compound: 7-Chloro-4-(piperazin-1-yl)quinoline( cas:837-52-5 ).Electric Literature of C13H14ClN3.They published the article 《Characterization and quantitative determination of impurities in piperaquine phosphate by HPLC and LC/MS/MS》 about this compound( cas:837-52-5 ) in Journal of Pharmaceutical and Biomedical Analysis. Keywords: piperaquine phosphate impurity HPLC mass spectrometry stability degradation. We’ll tell you more about this compound (cas:837-52-5).

Four impurities in piperaquine phosphate bulk drug substance were detected by a newly developed gradient reverse phase high performance liquid chromatog. (HPLC) method. These impurities were identified by LC/MS/MS. The structures of impurities were confirmed by spectroscopic studies (NMR and IR) conducted using synthesized authentic compounds The synthesized reference samples of the impurity compounds were used for the quant. HPLC determination The system suitability of HPLC anal. established the validity of the separation The method was validated according to ICH guidelines with respect to specificity, precision, accuracy and linearity. Forced degradation studies were also performed for piperaquine phosphate bulk drug samples to demonstrate the stability indicating power of the newly developed HPLC method.

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Product Details of 837-52-5. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 7-Chloro-4-(piperazin-1-yl)quinoline, is researched, Molecular C13H14ClN3, CAS is 837-52-5, about New derivatives of 7-chloroquinolin-4-amine with antiprotozoal activity. Author is Faist, Johanna; Hinteregger, Clemens; Seebacher, Werner; Saf, Robert; Maeser, Pascal; Kaiser, Marcel; Weis, Robert.

Novel ω-aminoacyl and -alkyl derivatives of 7-chloroquinolin-4-amine were prepared and their structures confirmed by NMR spectroscopy. Their antiprotozoal activities were examined in vitro against the sensitive NF54 strain as well as against the multiresistant K1 strain of Plasmodium falciparum and against Trypanosoma brucei rhodesiense (STIB 900). The results were compared with the activities of clin. used drugs. Their antitrypanosomal activities were only moderate, whereas their antiplasmodial activities looked very promising. Some were equal or slightly more active than chloroquine against the sensitive strain. However, in comparison to chloroquine, the activity of the new compounds was decreased much less in the resistant strain. Several possessed activity against both strains in low nanomolar concentration

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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Evidence for lactone formation during infrared multiple photon dissociation spectroscopy of bromoalkanoate doped salt clusters, published in 2020, which mentions a compound: 17696-11-6, Name is 8-Bromooctanoic acid, Molecular C8H15BrO2, Safety of 8-Bromooctanoic acid.

Reaction mechanisms of organic mols. in a salt environment are of fundamental interest and are potentially relevant for atm. chem., in particular sea-salt aerosols. Here, the authors found evidence for lactone formation upon IR multiple photon dissociation (IRMPD) of noncovalent bromoalkanoate complexes as well as bromoalkanoate embedded in sodium iodide clusters. The mechanism of lactone formation from bromoalkanoates of different chain lengths was studied in the gas phase with and without salt environment by a combination of IRMPD and quantum chem. calculations IRMPD spectra are recorded in the 833-3846 cm-1 range by irradiating the clusters with tunable laser systems while they are stored in the cell of a Fourier transform ICR (FT-ICR) mass spectrometer. The measurements of the binary complex Br(CH2)mCOOH·Br(CH2)mCOO- for m = 4 indicate valerolactone formation without salt environment while lactone formation is hindered for longer chain lengths. When embedded in sodium iodide clusters, butyrolactone formation from 4-bromobutyrate seems to take place already during formation of the doped clusters in the electrospray process, evidenced by the IR signature of the lactone. In contrast, IRMPD spectra of sodium iodide clusters containing 5-bromovalerate contain signatures for both valerate as well as valerolactone. In both cases, however, a neutral fragment corresponding to the mass of valerolactone is eliminated, indicating that ring formation can be activated by IR light in the salt cluster. Quantum chem. calculations show that already complexation with one sodium ion significantly increases the barrier for lactone formation for all chain lengths. IRMPD of sodium iodide clusters doped with neutral bromoalkanoic acid mols. proceeds by elimination of HI or desorption of the intact acid mol. from the cluster.

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Quality Control of 4,4-Dipyridyl Disulfide. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 4,4-Dipyridyl Disulfide, is researched, Molecular C10H8N2S2, CAS is 2645-22-9, about A Single-Crystal to Single-Crystal Conversion Scheme for a Two-Dimensional Metal-Organic Framework Bearing Linear Cd3 Secondary Building Units. Author is Chao, Meng-Yao; Chen, Jing; Hao, Zhi-Min; Tang, Xiao-Yan; Ding, Lifeng; Zhang, Wen-Hua; Young, David J.; Lang, Jian-Ping.

The single-crystal to single-crystal (SCSC) conversion of metal-organic frameworks (MOFs) represents a facile route to new MOFs with structures and functionalities that are challenging to obtain by direct synthesis. However, conversion products are often structurally limited for a given precursor. The authors herein report that a two-dimensional (2D) MOF featuring a linear Cd3 cluster secondary building unit (SBU) converts into one type of three-dimensional (3D) interpenetrated and two types of 3-dimensional noninterpenetrated MOFs upon reaction with dipyridyl ligands. One of the interpenetrated 3-dimensional MOFs, in turn, undergoes either ligand substitution to give isoreticular interpenetrated MOFs, or ligand addition to give a self-penetrated 3-dimensional MOF. This rich SCSC conversion library is made possible by the inclined nature of the Cd3 SBU with respect to the 2-dimensional plane of the starting material to create an anisotropic environment around the SBU.

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Synthetic Route of C8H15BrO2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 8-Bromooctanoic acid, is researched, Molecular C8H15BrO2, CAS is 17696-11-6, about Unique Photophysical Behavior of Coumarin-Based Viscosity Probes during Molecular Self-Assembly. Author is Panettieri, Silvio; Silverman, Julian R.; Nifosi, Riccardo; Signore, Giovanni; Bizzarri, Ranieri; John, George.

Intermol. interactions impact self-assembly phenomena with a variety of biochem., phys., and mech. consequences. Nevertheless, underlying mechanisms leading to a controlled stereo- and chemo-specific aggregation at the mol. level often remain elusive due to the intrinsically dynamic nature of these processes. This work describes two, 3-styryl coumarin mol. rotors capable of probing subtle intermol. interactions controlling self-assembly of a small mol. organogelator. Complementing the gel characterization using CD and at. force microscopy, thorough spectroscopic assessments on these sensors were conducted to prove their high chem. and spatial affinity toward the three-dimensional supramol. network. Results were also supported by mol. dynamics simulations to provide addnl. critical insights into gelator dynamic self-assembly mechanisms. These sensors could potentially serve as templates to study a variety of soft-supramol. architectures and ways in which they assemble.

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