Tag: M.W=200-300

Category: alcohols-buliding-blocks. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Efficient and recyclable bimetallic Co-Cu catalysts for selective hydrogenation of halogenated nitroarenes. Author is Sheng, Yao; Wu, Baoqin; Ren, Jiaan; Wang, Xueguang; Zou, Xiujing; Lu, Xionggang.

Silica supported N-doped carbon layers encapsulating Co-Cu nanoparticles (Co1Cux@CN/SiO2) were prepared by a one-step impregnation of Co(NO3)2·6H2O, Cu(NO3)2·3H2O, urea and glucose, following in situ carbothermal reduction Effects of Cu contents on the catalytic performance of the Co1Cux@CN/SiO2 catalysts were investigated for selective hydrogenation of p-chloronitrobenzene to p-chloroaniline. The Co1Cu0.30@CN/SiO2 with Cu/Co molar ratio of 0.30:1 presented much higher activity and stability than the monometallic Co@CN/SiO2 catalyst. The addition of Cu into Co1Cux@CN/SiO2 catalysts had favorable effects on the formation of highly active Co-N sites and N-doped carbon layer. The role of the N-doped carbon layer was to protect the Co from oxidation by air, and the Co1Cu0.30@CN/SiO2 could be reused for at least 12 cycles without decrease in catalytic efficiency. Mechanistic and in situ IR studies revealed that the interaction effect between the Co and Cu atoms made the surface of Co highly electron rich, which decreased adsorption of halogen groups and resulting in the enhanced selectivity during chemoselective hydrogenation of halogenated nitroarenes for a wide scope of substrates.

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, European Journal of Organic Chemistry called Cobalt-Catalyzed C-N Bond-Forming Reaction between Chloronitrobenzenes and Secondary Amines, Author is Toma, Gabriel; Yamaguchi, Ryohei, which mentions a compound: 16588-26-4, SMILESS is BrC1=C(C=CC(=C1)[N+](=O)[O-])Cl, Molecular C6H3BrClNO2, Quality Control of 3-Bromo-4-chloronitrobenzene.

Cyclic secondary amines react with mono- or dichloronitrobenzenes in the presence of a catalytic amount of cobalt(II) chloride. Phosphane ligands are beneficial for the reaction, although the bite-angle effect was not strong. The resulting nitro-substituted tertiary amines are important as bioactive compounds and can also be intermediates for the synthesis of substituted anilines. This work represents the first cobalt-catalyzed approach to C-N bond-forming reactions involving aromatic chlorides and cyclic secondary amines. The reaction is ortho- and para-selective, with meta-substituted halides being unreactive in this procedure.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Optimization of Potent ATAD2 and CECR2 Bromodomain Inhibitors with an Atypical Binding Mode, the main research direction is ATAD2 CECR2 inhibitor cat eye syndrome bromodomains.Reference of 3-Bromo-4-chloronitrobenzene.

Most bromodomain inhibitors mimic the interactions of the natural acetylated lysine (KAc) histone substrate through key interactions with conserved asparagine and tyrosine residues within the binding pocket. Herein we report the optimization of a series of Ph sulfonamides that exhibit a novel mode of binding to non-bromodomain and extra terminal domain (non-BET) bromodomains through displacement of a normally conserved network of four water mols. Starting from an initial hit mol., we report its divergent optimization toward the ATPase family AAA domain containing 2 (ATAD2) and cat eye syndrome chromosome region, candidate 2 (CECR2) domains. This work concludes with the identification of (R)-55 (GSK232)(I), a highly selective, cellularly penetrant CECR2 inhibitor with excellent physicochem. properties.

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Reference of 3-Bromo-4-chloronitrobenzene. 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. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Acid- and base-dependent hydrolysis of N-(sulfonatooxy)-3-bromoacetanilide: involvement of N-(3-bromophenyl)hydroxylamine O-sulfonate.

The title compound (I) undergoes hydrolysis at 80° and pH 1.0-8.0 by acid- and base-dependent processes and by an uncatalyzed path. The uncatalyzed reaction exhibits the same characteristics as the uncatalyzed N-O bond-cleavage reactions of the more reactive N-(sulfonatooxy)acetanilides. The pH-dependent paths involve the hydrolysis of I to form N-(3-bromophenyl)hydroxylamine O-sulfonate (II). II cannot be directly detected under the conditions of this study, but its existence can be inferred from product study and trapping data. Although II undergoes decomposition entirely by heterolytic N-O bond cleavage to yield m-BrC6H4N+H (III), a less reactive analog of II, i.e., N-(3-bromophenyl)-O-pivaloylhydroxylamine (IV), apparently undergoes competitive homolytic and heterolytic N-O bond cleavage to yield both m-NHC6H4Br radical and III. Both II and IV serve as models for certain suspected carcinogenic metabolites of polycyclic aromatic amines and amides.

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Formula: C12H13BrN2O2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: tert-Butyl 5-bromo-1H-indazole-1-carboxylate, is researched, Molecular C12H13BrN2O2, CAS is 651780-02-8, about Discovery of inhibitors of plasminogen activator inhibitor-1: Structure-activity study of 5-nitro-2-phenoxybenzoic acid derivatives. Author is Pandya, Vrajesh; Jain, Mukul; Chakrabarti, Ganes; Soni, Hitesh; Parmar, Bhavesh; Chaugule, Balaji; Patel, Jigar; Joshi, Jignesh; Joshi, Nirav; Rath, Akshyaya; Raviya, Mehul; Shaikh, Mubeen; Sairam, Kalapatapu V. V. M.; Patel, Harilal; Patel, Pankaj.

Two novel series of 5-nitro-2-phenoxybenzoic acid derivatives are designed as potent PAI-1 inhibitors using hybridization and conformational restriction strategy in the tiplaxtinin and piperazine chemo types. The lead compounds 5a, 6c, and 6e exhibited potent PAI-1 inhibitory activity and favorable oral bioavailability in the rodents.

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, U.S. Gov’t, P.H.S., Journal of Medicinal Chemistry called Design and Synthesis of Potent Nonpeptidic Farnesyltransferase Inhibitors Based on a Terphenyl Scaffold, Author is Ohkanda, Junko; Lockman, Jeffrey W.; Kothare, Mohit A.; Qian, Yimin; Blaskovich, Michelle A.; Sebti, Said M.; Hamilton, Andrew D., which mentions a compound: 16588-26-4, SMILESS is BrC1=C(C=CC(=C1)[N+](=O)[O-])Cl, Molecular C6H3BrClNO2, Application of 16588-26-4.

By modification of key carboxylate, hydrophobic, and zinc-binding groups projected from a sterically restricted terphenyl scaffold, a series of simple and nonpeptide mimetics of the Cys-Val-Ile-Met tetrapeptide substrate of protein farnesyltransferase (FTase) have been designed and synthesized. A crystal structure of 4-nitro-2-phenyl-3′-methoxycarbonylbiphenyl shows that the terphenyl fragment provides a large hydrophobic surface that potentially mimics the hydrophobic side chains of the three terminal residues in the tetrapeptide. 2-Phenyl-3-{N-[1-(4-cyanobenzyl)-1H-imidazol-5-yl]methyl}amino-3′-carboxylbiphenyl, in which the free thiol group was replaced with a 1-(4-cyanobenzyl)imidazole group, shows submicromolar inhibition activity against FTase in vitro and inhibits H-Ras processing in whole cells.

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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.van der Aar, E. M.; Buikema, D.; Commandeur, J. N. M.; te Koppele, J. M.; van Ommen, B.; van Bladeren, P. J.; Vermeulen, N. P. E. researched the compound: 3-Bromo-4-chloronitrobenzene( cas:16588-26-4 ).Electric Literature of C6H3BrClNO2.They published the article 《Enzyme kinetics and substrate selectivities of rat glutathione S-transferase isoenzymes towards a series of new 2-substituted 1-chloro-4-nitrobenzenes》 about this compound( cas:16588-26-4 ) in Xenobiotica. Keywords: glutathione transferase substrate selectivity kinetics. We’ll tell you more about this compound (cas:16588-26-4).

1. Four different rat glutathione S-transferase (GST) isoenzymes, belonging to three different classes, were examined for their GSH conjugating capacity towards 11 2-substituted 1-chloro-4-nitrobenzene derivatives Significant differences were found in their enzyme kinetic parameters Km, kcat and kcat/Km. 2. Substrates with bulky substituents on the ortho-position appeared to have high affinities (low Km’s) for the active site of the GST-isoenzymes, suggesting that there is sufficient space in this area of the active site. A remarkably high Km (low affinity) was found for 2-chloro-5-nitropyridine towards all GST-isoenzymes examined 3. GST 3-3 catalyzed the reaction between GSH and the substrates most efficiently (high kcat) compared with the other GST-isoenzymes. Moreover, GST 3-3 showed clear substrate selectivities towards the substrates with a trifluoromethyl- chlorine- and bromine-substituent. 1-Chloro-2,4-dinitrobenzene and 2-chloro-5-nitrobenzonitrile were most efficiently conjugated by all four GST-isoenzymes examined 4. When the rate of the conjugation reactions was followed, a linear increase of formation of GS-conjugate could be seen for 2-chloro-5-nitrobenzonitrile during a much longer period of time than for 1-chloro-2,4-dinitrobenzene with all GST-isoenzymes examined Therefore, it is suggested that 2-chloro-5-nitrobenzonitrile might be recommended as an alternative model substrate in GST-research.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3-Bromo-4-chloronitrobenzene( cas:16588-26-4 ) is researched.Recommanded Product: 16588-26-4.Liedholm, Brita published the article 《Copper(I)-induced bromine-hydrogen exchange of 2,3-dibromoanilines》 about this compound( cas:16588-26-4 ) in Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry. Keywords: copper reduction dibromoaniline; aniline dibromo debromination copper; debromination dibromoaniline copper ion. Let’s learn more about this compound (cas:16588-26-4).

The Cu(I)-induced Br/H exchange reaction of 2,3-dibromoaniline and 5-substituted 2,3-dibromoanilines in the 2-position has been kinetically studied in aqueous HOAc-HCl medium at 90°. The dehalogenation reaction is 2nd order, 1st in both substrate and Cu+, and may be interpreted as a reductive substitution, composed of two 1-electron steps. The 2,3-dibromophenol was only qual. examined but gave similar results.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 3-Bromo-4-chloronitrobenzene(SMILESS: BrC1=C(C=CC(=C1)[N+](=O)[O-])Cl,cas:16588-26-4) is researched.Name: Oxazole. The article 《Enzyme kinetics and substrate selectivities of rat glutathione S-transferase isoenzymes towards a series of new 2-substituted 1-chloro-4-nitrobenzenes》 in relation to this compound, is published in Xenobiotica. Let’s take a look at the latest research on this compound (cas:16588-26-4).

1. Four different rat glutathione S-transferase (GST) isoenzymes, belonging to three different classes, were examined for their GSH conjugating capacity towards 11 2-substituted 1-chloro-4-nitrobenzene derivatives Significant differences were found in their enzyme kinetic parameters Km, kcat and kcat/Km. 2. Substrates with bulky substituents on the ortho-position appeared to have high affinities (low Km’s) for the active site of the GST-isoenzymes, suggesting that there is sufficient space in this area of the active site. A remarkably high Km (low affinity) was found for 2-chloro-5-nitropyridine towards all GST-isoenzymes examined 3. GST 3-3 catalyzed the reaction between GSH and the substrates most efficiently (high kcat) compared with the other GST-isoenzymes. Moreover, GST 3-3 showed clear substrate selectivities towards the substrates with a trifluoromethyl- chlorine- and bromine-substituent. 1-Chloro-2,4-dinitrobenzene and 2-chloro-5-nitrobenzonitrile were most efficiently conjugated by all four GST-isoenzymes examined 4. When the rate of the conjugation reactions was followed, a linear increase of formation of GS-conjugate could be seen for 2-chloro-5-nitrobenzonitrile during a much longer period of time than for 1-chloro-2,4-dinitrobenzene with all GST-isoenzymes examined Therefore, it is suggested that 2-chloro-5-nitrobenzonitrile might be recommended as an alternative model substrate in GST-research.

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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 Structure-Activity Relationships for the Glutathione Conjugation of 2-Substituted 1-Chloro-4-nitrobenzenes by Rat Glutathione S-Transferase 4-4, published in 1996-03-31, which mentions a compound: 16588-26-4, Name is 3-Bromo-4-chloronitrobenzene, Molecular C6H3BrClNO2, HPLC of Formula: 16588-26-4.

In the present study structure-activity relationships (SAR’s) are described for the exptl. determined kinetic parameters (Km, kcat, and kcat/Km) of the GST 4-4-catalyzed reaction between GSH and 10 2-substituted 1-chloro-4-nitrobenzenes. Steric, lipophilic, and electronic parameters were correlated with the kinetic parameters. Moreover, charge distributions and several energy values were calculated for the substrates and the corresponding Meisenheimer intermediates with MeS- as a model nucleophile for the thiolate anion of GSH and used in the regression analyses. The correlations obtained were compared with the corresponding SAR’s for the base-catalyzed GSH conjugation reaction at pH 9.2. A high correlation coefficient was found between the kinetic parameter ks for the base-catalyzed reaction and the Hammett substituent constant (σp). Much lower correlation coefficients were obtained with kcat and σp and with kcat/Km and σp. Moreover, the reaction constant ρ was significantly higher for the base-catalyzed than for the enzyme-catalyzed reaction. Also, high correlations were found between the kinetic parameters and the charges on the p-nitro substituent in the substrates. When ks was plotted against these charges, a linear relation was found in which the slope was larger than the slope of a corresponding plot with kcat/Km. The Hammett σp can be divided into an inductive (F) and a resonance (R) component. With multiple regression between the kinetic parameters and F and R, higher correlation coefficients were obtained than with σp alone. The observations suggest that the transition states for the base-catalyzed and the GST 4-4-catalyzed GSH conjugation reaction are different. Moreover, single classical physicochem. and computer-calculated mol. parameters and combinations of them can be an alternative approach for examining SAR’s for spontaneous and GST-catalyzed GSH conjugation reactions.

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