Category: 1524-40-9

Dugad, L. B.; Cooley, C. R.; Gerig, J. T. published the artcile< NMR studies of carbonic anhydrase-fluorinated benzenesulfonamide complexes>, Computed Properties of 1524-40-9, the main research area is carbonic anhydrase fluorobenzenesulfonamide complex NMR.

19F NMR was used to examine complexes formed by 2-fluoro-, 3-fluoro-, and 2,5-difluorobenzenesulfonamide and human carbonic anhydrase (CA) isoenzymes I and II. The results showed that all 3 inhibitors formed complexes with both isoenzymes that had 2:1 inhibitor/enzyme stoichiometry. The 19F spectra observed for all inhibitor-isoenzyme combinations were consistent either with rapid rotation of the aromatic ring of the inhibitor in the complexes or with preferential binding of only 1 of the 2 possible conformations of the inhibitors that were isomeric by virtue of rotation about the C1-C4 bond of the fluoro aromatic ring. Because ring rotation is slow in the case of the pentafluorobenzenesulfonamide-CA I complex, selective binding of rotamers is the explanation of these observations presently favored. A computer graphics study showed that formation of 2:1 complexes of CA I is feasible without the appreciable distortion of the protein tertiary structure found in the crystalline state.

Biochemistry published new progress about NMR (nuclear magnetic resonance). 1524-40-9 belongs to class amides-buliding-blocks, and the molecular formula is C6H6FNO2S, Computed Properties of 1524-40-9.

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

Fu, Shaomin; Yang, Honghao; Li, Guoqiang; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei published the artcile< Copper(II)-Catalyzed Enantioselective Intramolecular Cyclization of N-Alkenylureas>, Quality Control of 1524-40-9, the main research area is copper catalyzed enantioselective intramol cyclization alkenylurea bicyclic heterocycle synthesis; vicinal diamine cyclic enantioselective synthesis.

The first Cu(II)-catalyzed highly enantioselective intramol. cyclization of N-alkenylureas was developed for the concise assembly of chiral vicinal diamino bicyclic heterocycles [e.g., I → II (73%, 90% ee)]. Facile removal of carbonyl group of the carbamido moiety allowed for ready access to enantioenriched cyclic vicinal diamines.

Organic Letters published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (alkenylureas). 1524-40-9 belongs to class amides-buliding-blocks, and the molecular formula is C6H6FNO2S, Quality Control of 1524-40-9.

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

Feng, Jian-Bo; Wu, Xiao-Feng published the artcile< A general iodine-mediated synthesis of primary sulfonamides from thiols and aqueous ammonia>, Computed Properties of 1524-40-9, the main research area is sulfonamide primary aryl preparation green chem; thiol aryl ammonia oxidation iodine catalyst.

A general and efficient methodol. for preparing a wide range of primary sulfonamides, RSO2NH2 (R = 3,4-dichlorophenyl, naphthalen-2-yl, 1H-1,3-benzodiazol-2-yl, etc.) from the corresponding thiols RSH and aqueous ammonia, by using iodine as the catalyst and TBHP (70% in water) as the oxidant, in moderate to good yields has been developed.

Organic & Biomolecular Chemistry published new progress about Arenesulfonamides Role: SPN (Synthetic Preparation), PREP (Preparation). 1524-40-9 belongs to class amides-buliding-blocks, and the molecular formula is C6H6FNO2S, Computed Properties of 1524-40-9.

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

Howard, Kaitlind C.; Gonzalez, Octavio A.; Garneau-Tsodikova, Sylvie published the artcile< Second Generation of Zafirlukast Derivatives with Improved Activity against the Oral Pathogen Porphyromonas gingivalis>, Electric Literature of 1524-40-9, the main research area is zafirlukast derivative synthesis antibacterial cytotoxicity Porphyromonas gingivalis periodontal disease.

Porphyromonas gingivalis is a Gram-neg. anaerobic pathogen that can trigger oral dysbiosis as an early event in the pathogenesis of periodontal disease. The FDA-approved drug zafirlukast (ZAF) was recently shown to display antibacterial activity against P. gingivalis. Here, 15 novel ZAF derivatives were synthesized and evaluated for their antibacterial activity against P. gingivalis and for their cytotoxic effects. Most derivatives displayed superior antibacterial activity against P. gingivalis compared to ZAF and its first generation derivatives along with little to no growth inhibition of other oral bacterial species. The most active compounds displayed bactericidal activity against P. gingivalis and less cytotoxicity than ZAF. The superior and selective antibacterial activity of ZAF derivatives against P. gingivalis along with an increased safety profile compared to ZAF suggest these new compounds, especially 14b and 14e, show promise as antibacterials for future studies aimed to test their potential for preventing/treating P. gingivalis-induced periodontal disease.

ACS Medicinal Chemistry Letters published new progress about Antibacterial agents. 1524-40-9 belongs to class amides-buliding-blocks, and the molecular formula is C6H6FNO2S, Electric Literature of 1524-40-9.

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

Ravindranathan, Krishna; Tirado-Rives, Julian; Jorgensen, William L.; Guimaraes, Cristiano R. W. published the artcile< Improving MM-GB/SA Scoring through the Application of the Variable Dielectric Model>, Synthetic Route of 1524-40-9, the main research area is dielec constant scoring model protein ligand electrostatics; CDK2 Factor Xa p38 PDE10A carbonic anhydrase drug target.

A variable dielec. model based on residue types for better description of protein-ligand electrostatics in MM-GBSA scoring is reported. The variable dielec. approach provides better correlation with binding data and reduces the score dynamic range, typically observed in the standard MM-GB/SA method. The latter supports the view that exaggerated enthalpic separation between weak and potent compounds due to the lack of shielding effects in the model is greatly responsible for the wide scoring spread.

Journal of Chemical Theory and Computation published new progress about Dielectric constant. 1524-40-9 belongs to class amides-buliding-blocks, and the molecular formula is C6H6FNO2S, Synthetic Route of 1524-40-9.

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

Vu, Huu-Manh; Yong, Jia-Yuan; Chen, Fei-Wu; Li, Xu-Qin; Shi, Guo-Qing published the artcile< Rhodium-Catalyzed C(sp2)-H Amidation of Azine with Sulfonamides>, Synthetic Route of 1524-40-9, the main research area is regioselective rhodium catalyzed amidation azine sulfonamide.

Direct C-H amidation of azine with sulfonamide was developed for the first time. The reactions proceeded smoothly under benign conditions and gave the corresponding products with high selectivity. This approach shows high regioselectivity, wide substrate scope, and functional group tolerance. Addnl., this transformation can also be scaled up to the gram level. This strategy allows for the direct preparation of ortho-sulfonamide-substituted ketone products, thus providing a good complement to previous C-H amidation.

Journal of Organic Chemistry published new progress about Amidation. 1524-40-9 belongs to class amides-buliding-blocks, and the molecular formula is C6H6FNO2S, Synthetic Route of 1524-40-9.

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

Schierle, Simone; Flauaus, Cathrin; Heitel, Pascal; Willems, Sabine; Schmidt, Jurema; Kaiser, Astrid; Weizel, Lilia; Goebel, Tamara; Kahnt, Astrid S.; Geisslinger, Gerd; Steinhilber, Dieter; Wurglics, Mario; Rovati, G. Enrico; Schmidtko, Achim; Proschak, Ewgenij; Merk, Daniel published the artcile< Boosting Anti-Inflammatory Potency of Zafirlukast by Designed Polypharmacology>, SDS of cas: 1524-40-9, the main research area is zafirlukast urea synthesis antiinflammatory pharmacokinetics PPAR cysteinyl leukotriene receptor.

Multitarget design offers access to bioactive small mols. with potentially superior efficacy and safety. Particularly multifactorial chronic inflammatory diseases demand multiple pharmacol. interventions for stable treatment. By minor structural changes, we have developed a close analog of the cysteinyl-leukotriene receptor antagonist zafirlukast that simultaneously inhibits soluble epoxide hydrolase and activates peroxisome proliferator-activated receptor γ. The triple modulator exhibits robust anti-inflammatory activity in vivo and highlights the therapeutic potential of designed multitarget agents.

Journal of Medicinal Chemistry published new progress about Cysteinyl leukotriene receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (antagonists). 1524-40-9 belongs to class amides-buliding-blocks, and the molecular formula is C6H6FNO2S, SDS of cas: 1524-40-9.

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

Zhang, Yan-Shun; Gui, Hou-Ze; Wei, Yin; Shi, Min published the artcile< Synthesis of Dihydro-2-oxopyrrole (DPO) Building Blocks Catalyzed by Potassium Carbonate>, HPLC of Formula: 1524-40-9, the main research area is dihydro oxopyrrole preparation cascade dimerization cyclization sulfonaminoacrylate; potassium carbonate catalyzed cascade dimerization cyclization sulfonaminoacrylate.

A dimerization and cyclization cascade reaction of 2-sulfonaminoacrylates catalyzed by K2CO3 provides dihydro-2-oxopyrrole (DPO) derivatives This straightforward and atom-economic transformation features a simple exptl. operation with easily available starting materials, a broad substrate scope as well as good functional group tolerance. The desired DPO building blocks are obtained in moderate to good yields.

European Journal of Organic Chemistry published new progress about Atom economy. 1524-40-9 belongs to class amides-buliding-blocks, and the molecular formula is C6H6FNO2S, HPLC of Formula: 1524-40-9.

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

Qiao, Jin-Bao; Zhang, Ya-Qian; Yao, Qi-Wei; Zhao, Zhen-Zhen; Peng, Xuejing; Shu, Xing-Zhong published the artcile< Enantioselective Reductive Divinylation of Unactivated Alkenes by Nickel-Catalyzed Cyclization-Coupling Reaction>, Computed Properties of 1524-40-9, the main research area is methylene five membered heterocycle carbocycle chemoselective regioselective enantioselective preparation; bromo diene vinyl electrophile divinylation cyclization coupling nickel catalyst.

An enantioselective cross-electrophile divinylation reaction of nonaromatic substrates, 2-bromo-1,6-dienes was reported. The approach thus offered a route to new chiral cyclic architectures, which were key structural motifs found in various biol. active compounds The reaction proceeded under mild conditions, and use of chiral t-Bu-pmrox and 3,5-difluoro-pyrox ligands resulted in formation of divinylated products with high chemo-, regio-, and enantioselectivity. The method was applicable for incorporation of chiral hetero- and carbocycles into complex mols.

Journal of the American Chemical Society published new progress about Alkadienes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 1524-40-9 belongs to class amides-buliding-blocks, and the molecular formula is C6H6FNO2S, Computed Properties of 1524-40-9.

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

Li, Sifan; Wang, Yu; Wu, Zibo; Shi, Weiliang; Lei, Yibo; Davies, Paul W.; Shu, Wei published the artcile< A Radical-Initiated Fragmentary Rearrangement Cascade of Ene-Ynamides to [1,2]-Annulated Indoles via Site-Selective Cyclization>, Synthetic Route of 1524-40-9, the main research area is annulated indole regioselective preparation; ene ynamide fragmentary rearrangement cascade radical initiated.

Herein, a radical triggered fragmentary cyclization cascade reaction of ene-ynamides was presented, providing a rapid access into [1,2]-annulated indoles I [R = H, Me, SMe, etc.; R1 = Ph, 4-MeC6H4, 3-pyridyl, etc.; R2 = H, Me, n-Bu; n = 1,2,3] by an intermol. radical addition, intramol. cyclization, desulfonylative aryl migration, and site-selective C(sp2)-N cyclization sequence. DFT calculations support oxidation of N-centered radical species to cations prior to the C-N bond formation, followed by an unusual aza-Nazarov cyclization.

Organic Letters published new progress about Alkenes Role: RCT (Reactant), RACT (Reactant or Reagent). 1524-40-9 belongs to class amides-buliding-blocks, and the molecular formula is C6H6FNO2S, Synthetic Route of 1524-40-9.

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