Category: 6961-82-6

Baranauskiene, Lina; Skiudaite, Lina; Michailoviene, Vilma; Petrauskas, Vytautas; Matulis, Daumantas published the artcile< Thiazide and other Cl-benzenesulfonamide-bearing clinical drug affinities for human carbonic anhydrases>, Safety of o-Chlorobenzenesulfonamide, the main research area is human carbonic anhydrase chlorine benzenesulfonamide thiazide drug affinity.

Twelve carbonic anhydrase (CA) isoforms catalyze carbon dioxide hydration to bicarbonate and acid protons and are responsible for many biol. functions in human body. Despite their vital functions, they are also responsible for, or implicated in, numerous ailments and diseases such as glaucoma, high altitude sickness, and cancer. Because CA isoforms are highly homologous, clin. drugs designed to inhibit enzymic activity of a particular isoform, can also bind to others with similar affinity causing toxic side effects. In this study, the affinities of twelve CA isoforms have been determined for nineteen clin. used drugs used to treat hypertension related diseases, i.e. thiazides, indapamide, and metolazone. Their affinities were determined using a fluorescent thermal shift assay. Stopped flow assay and isothermal titration calorimetry were also employed on a subset of compounds and proteins to confirm inhibition of CA enzymic activity and verify the quant. agreement between different assays. The findings of this study showed that pharmaceuticals could bind to human CA isoforms with variable affinities and inhibit their catalytic activity, even though the drug was intended to interact with a different (non-CA) protein target. Relatively minor structural changes of the compounds may cause significant changes in affinity and selectivity for a particular CA isoform.

PLoS One published new progress about Antidiuretics. 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, Safety of o-Chlorobenzenesulfonamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Chen, Wei; Li, Yuxin; Zhou, Yunyun; Ma, Yi; Li, Zhengming published the artcile< Design, synthesis and SAR study of novel sulfonylurea derivatives containing arylpyrimidine moieties as potential anti-phytopathogenic fungal agents>, HPLC of Formula: 6961-82-6, the main research area is sulfonyl urea pyrimidinyl preparation plant pathogen antifungal activity.

Herein, three series of novel sulfonylureas (SUs) containing aromatic-substituted pyrimidines I (Ar = 4-methylphenyl, 2-furyl, 2-thienyl; R1 = H, Cl, Br, I; R2 = NO2, COOMe, Cl; R3 = H, NO2) were designed and synthesized according to pharmacophore-combination and bioisosterism strategy. The in vitro fungicidal activities against ten phytopathogenic fungi indicated that most of the title compounds I exhibited broad-spectrum and excellent fungicidal activities. Based on the preliminary fungicidal activities, a CoMFA model was constructed and the 3D-QSAR anal. indicated that either a bulky group around the 5-position of the pyrimidine ring or electropos. group around the 2-position of the benzene ring would be favor to fungicidal activities. In order to study interaction mechanism, compound I (Ar = 2-furyl; R1 = Br; R2 = Cl; R3 = H) was automatically docked into yeast acetohydroxyacid synthase (AHAS) and it further indicated that bearing bulky groups-aryl at the pyrimidine ring was critical to enhance antifungal activities. It revealed that the antifungal activity of derivatives I probably results from the inhibition of fungal AHAS. Thus, the present results strongly showed that SUs should be considered as lead compounds or model mols. to develop novel anti-phytopathogenic fungal agents.

Chinese Chemical Letters published new progress about Agrochemical fungicides. 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, HPLC of Formula: 6961-82-6.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Li, Ze-Lin; Wu, Peng-Yu; Cai, Chun published the artcile< Nickel-catalyzed regioselective C-H halogenation of electron-deficient arenes>, Name: o-Chlorobenzenesulfonamide, the main research area is amide halosuccinimide regioselective halogenation nickel catalyst.

A straightforward Ni(II)-catalyzed general strategy was developed for the ortho-halogenation of electron-deficient arenes such as benzamide, benzenesulfonamide, Me benzoate, etc. with easily available halogenating reagents N-halosuccinimides (NXS; X = Br, Cl and I). The transformation was highly regioselective and a wide substrate scope and functional group tolerance were observed This discovery could be of great significance for the selective halogenation of amides, benzoic esters and other substances with guiding groups. Mechanistic investigations were also described.

New Journal of Chemistry published new progress about Aromatic esters Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, Name: o-Chlorobenzenesulfonamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Wang, Yanwei; Liu, Hongxin; Li, Bin; Wang, Baiquan published the artcile< Rhodium(III)-catalyzed Intermolecular Unactivated Secondary C(sp3)-H Bond Amidation Directed by 3,5-dimethylpyrazole>, Application of C6H6ClNO2S, the main research area is pyrazole carboxamide preparation; sulfonyl urea preparation; alkylamide sulfonamine amidation rhodium catalyst.

A Rh(III)-catalyzed intermol. unactivated secondary C(sp3)-H bond amidation via nitrene insertion directed by 3,5-dimethylpyrazole has been reported. This procedure tolerates a broad substrate scope including chain and cyclic N-alkylamides, e.g., N-(sec-butyl)-3,5-dimethyl-1H-pyrazole-1-carboxamide. Notably, the directing group 3,5-dimethylpyrazole of chain N-alkylamide substrates could be easily removed via cascade intermol. amidation and intramol. cyclization in one-pot affording sulfonylureas such as I by increasing the reaction temperature

Advanced Synthesis & Catalysis published new progress about Amidation (regioselective). 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, Application of C6H6ClNO2S.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Wei, Kajia; Cao, Xiaoxin; Gu, Wancong; Liang, Peng; Huang, Xia; Zhang, Xiaoyuan published the artcile< Ni-Induced C-Al2O3-Framework (NiCAF) Supported Core-Multishell Catalysts for Efficient Catalytic Ozonation: A Structure-to-Performance Study>, Reference of 6961-82-6, the main research area is nickel carbon aluminum framework catalytic ozonation wastewater treatment.

During catalytic ozonation, Al2O3-supported catalysts usually have stable structures but relatively low surface activity, while carbon-supported catalysts are opposite. To encourage their synergisms, we designed a Ni-induced C-Al2O2-framework (NiCAF) and reinforced it with a Cu-Co bimetal to create an efficient catalyst (CuCo/NiCAF) with a core-multishell structure. The partial graphitization of carbon adjacent to Ni crystals formed a strong out-shell on the catalyst surface. The rate constant for total organic carbon removal of CuCo/NiCAF (0.172 ± 0.018 min-1) was 67% and 310% higher than that of Al2O3-supported catalysts and Al2O3 alone, resp. The metals on CuCo/NiCAF contributed to surface-mediated reactions during catalytic ozonation, while the embedded carbon enhanced reactions within the solid-liquid boundary layer and in the bulk solution Moreover, carbon embedment provided a 76% increase in ·OH-production efficiency and an 86% increase in organic-adsorption capacity compared to Al2O3-supported catalysts. During the long-term treatment of coal-gasification wastewater (∼5 m3 day-1), the pilot-scale demonstration of CuCo/NiCAF-catalyzed ozonation revealed a 120% increase in ozone-utilization efficiency (ΔCOD/ΔO3 = 2.12) compared to that of pure ozonation (0.96). These findings highlight catalysts supported on NiCAF as a facile and efficient approach to achieve both high catalytic activity and excellent structural stability, demonstrating that they are highly viable for practical applications.

Environmental Science & Technology published new progress about Acids Role: PEP (Physical, Engineering or Chemical Process), POL (Pollutant), REM (Removal or Disposal), PROC (Process), OCCU (Occurrence). 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, Reference of 6961-82-6.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Zhou, Hai-Shan; Hu, Lv-Bin; Zhang, Han; Shan, Wen-Xin; Wang, Yan; Li, Xue; Liu, Tian; Zhao, Jing; You, Qi-Dong; Jiang, Zheng-Yu published the artcile< Design, Synthesis, and Structure-Activity Relationships of Indoline-Based Kelch-like ECH-Associated Protein 1-Nuclear Factor (Erythroid-Derived 2)-Like 2 (Keap1-Nrf2) Protein-Protein Interaction Inhibitors>, Quality Control of 6961-82-6, the main research area is indoline design synthesis cardioprotective Keap1 Nrf2 protein interaction inhibition.

The Keap1 (Kelch-like ECH-associated protein 1)-Nrf2 (nuclear factor erythroid 2-related factor 2)-ARE (antioxidant response element) pathway is the major defending mechanism against oxidative stresses, and directly disrupting the Keap1-Nrf2 protein-protein interaction (PPI) has been an attractive strategy to target oxidative stress-related diseases, including cardiovascular diseases. Here, we describe the design, synthesis, and structure-activity relationships (SARs) of indoline-based compounds as potent Keap1-Nrf2 PPI inhibitors. Comprehensive SAR anal. and thermodn.-guided optimization identified I as the most potent inhibitor in this series, with an IC50 of 22 nM in a competitive fluorescence polarization assay. Further evaluation indicated the proper drug-like properties of I. I dose-dependently upregulated genes and protein level of Nrf2 as well as its downstream markers and showed protective effects against lipopolysaccharide-induced injury in both H9c2 cardiac cells and mouse models. Collectively, we reported here a novel indoline-based Keap1-Nrf2 PPI inhibitor as a potential cardioprotective agent.

Journal of Medicinal Chemistry published new progress about Cardioprotective agents. 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, Quality Control of 6961-82-6.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Daniel, Alyssa; Kim, Kelly; Shanmugam, Neel; Sinha, Sneha; Varadharajan, Advika; Acree, William E. published the artcile< Abraham model correlations for solute transfer into cyclopentanone>, SDS of cas: 6961-82-6, the main research area is cyclopentanone anthracene pyrene Abraham model correlation.

Mole fraction solubilities have been measured for anthracene, benzoic acid, 4-tert-butylbenzoic acid, 3-chlorobenzoic acid, 2-hydroxybenzoic acid, 2-methylbenzoic acid, 3-methylbenzoic acid, 3-nitrobenzoic acid and pyrene dissolved in cyclopentanone at 298.15 K using either spectrophotometric or acid-base titrimetric methods. Results of our exptl. measurements, combined with published solubility data for several inorganic and organic gases, solubility data for several important crystalline pharmaceutical intermediates and activity coefficient data taken from the published literature, were used to derive Abraham model correlations for solute transfer into anhydrous cyclopentanone solvent from both water and from the gas phase. The derived Abraham model correlations back-calculate the observed exptl. data to within 0.10 log units (or less). Reported for the first time are solute descriptor values for several important pharmaceutical intermediates.

Physics and Chemistry of Liquids published new progress about Regression analysis. 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, SDS of cas: 6961-82-6.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Zhao, Xue-Mei; Huang, En-Ling; Zhu, Yu-Shen; Li, Jing; Song, Bing; Zhu, Xinju; Hao, Xin-Qi published the artcile< Oxidative sulfonamidomethylation of imidazopyridines utilizing methanol as the main C1 source>, Application In Synthesis of 6961-82-6, the main research area is phenyl imidazopyridine methanol sulfamide oxidative sulfonamidomethylation; imidazopyridine methanol amine oxidative aminomethylation.

An efficient one-pot, three-component synthesis of C3 sulfonamidomethylated imidazopyridines was disclosed under metal-free conditions, which utilized the com. available and renewable reagent methanol as the main methylene source. A wide range of substituted imidazopyridines and sulfamides/amines were well tolerated to afford the corresponding products in up to 92% yield. In the isotopic labeling experiment, it was found that a minor part of the methylene also originated from DTBP. Moreover, the radical scavenger reactions were conducted, which suggested that a free-radical mechanism was probably not involved. The current methodol. featured several advantages, including broad substrate scope, good functional group tolerance and high reaction efficiency.

Organic & Biomolecular Chemistry published new progress about Amines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, Application In Synthesis of 6961-82-6.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Meng, Fanfei; Mi, Pengcheng; Yu, Zhenwu; Wei, Wei; Gao, Li; Ren, Jinzhou; Li, Zhengming; Dai, Huanqin published the artcile< Design, synthesis and biological evaluation of 5-substituted sulfonylureas as antifungal agents targeting acetohydroxyacid synthase>, Recommanded Product: o-Chlorobenzenesulfonamide, the main research area is sulfonylurea preparation antifungal.

In this work, 36 target compounds I were designed and synthesized and several 5-substituted sulfonylureas I = [X =CH, N, R1 = Me, Cl, Br; R2 = CNOMe, CHCH2, CHO; R3 = H, Me, OMe; R4 = Me, OMe, etc.] possess much better antifungal activities than those of Fluconazole (FCZ) and amphotericin B (AMB). The most potent of these were I [X =CH, R1 = Br, R2 = CNOMe, R3 = R4 = OCH3], I [X =CH, R1 = Cl, R2 = CHCH2, R3 = R4 = OCH3] and I [X =CH, R1 = I, R2 = CHCH2, R3 = R4 = OCH3] with inhibition constants (Ki) determined in the range of 5.6∼9.6 nM for C. albicans AHAS and MICs(The MIC was determined as the drug concentration that inhibited fungal growth by >90% relative to the corresponding drug-free growth control) <0.05∼0.78μg/mL for C. albicans SC 5314, 17# and 2# (17# and 2# were two clin. isolated FCZ-resistant strains of C. albicans), S. cerevisiae SCXH1549 and C. parapsilosis ATCC22019 in YNB (yeast nitrogen base) media at 72 h post-treatment. Using the same media, the com. MICs of FCZ and AMB were only determined in the range of 0.25∼5μg/mL for the five strains at 24 h post-treatment. In order to elaborate the structure-activity relationship (SAR) a proposed double-pocket binding mode was simulated via mol. docking. The energy gap between the HOMOs and LUMOs of selected compounds showed that the 5-substituted groups of sulfonylureas I = [X =CH, N, R1 = Me, Cl, Br; R2 = CNOMe, CHCH2, CHO; R3 = H, Me, OMe; R4 = Me, OMe, etc.] had key impact on the antimicrobial bioactivity. Journal of Molecular Structure published new progress about Fungicides. 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, Recommanded Product: o-Chlorobenzenesulfonamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Liu, Peng; Yang, Jiazhi; Ai, Yao; Hao, Shushu; Chen, Xiaozhong; Li, Feng published the artcile< Recyclable covalent triazine framework-supported iridium catalyst for the N-methylation of amines with methanol in the presence of carbonate>, Formula: C6H6ClNO2S, the main research area is amine methyl preparation green chem; methanol amine methylation covalent triazine framework iridium catalyst; methyl sulfonamide preparation green chem; sulfonamide methanol methylation covalent triazine framework iridium catalyst.

An iridium complex Cp*Ir@CTF, which is synthesized by the coordinative immobilization of [Cp*IrCl2]2 on a functionalized covalent triazine framework (CTF), was found to be a general and highly efficient catalyst for the N-methylation of amines RNH2 [R = octyl, adamantan-1-yl, naphthalen-2-yl, 1,3-benzoxazol-2-yl, etc.], 1,2,3,4-tetrahydroisoquinoline and 1,3-bis(4-piperidyl)propane with methanol in the presence of carbonate. Under environmentally benign conditions, a variety of desirable products RNHCH3, RN(CH3)2, 2-methyl-1,2,3,4-tetrahydroisoquinoline and 1-methyl-4-(3-(1-methylpiperidin-4-yl)propyl)piperidine/R1S(O)2NH(CH3) (R1 = t-Bu, cyclopropyl, 4-chlorophenyl, thiophen-2-yl, etc.) were obtained in high yields with complete selectivities and functional group friendliness. Furthermore, the synthesized catalyst Cp*Ir@CTF could be recycled by simple filtration without obvious loss of catalytic activity after sixth cycle. Notably, this research exhibited the potential of covalent triazine framework-supported transition metal catalyst Cp*Ir@CTF for hydrogen autotransfer process.

Journal of Catalysis published new progress about Amines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, Formula: C6H6ClNO2S.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics