On February 15, 2005, Khadikar, Padmakar V.; Sharma, Vimukta; Karmarkar, Sneha; Supuran, Claudiu T. published an article.SDS of cas: 97-09-6 The title of the article was Novel use of chemical shift in NMR as molecular descriptor: a first report on modeling carbonic anhydrase inhibitory activity and related parameters. And the article contained the following:
A novel use of NMR chem. shift of the SO2NH2 protons (in dioxane as solvent) as a mol. descriptor is described for modeling the inhibition constant for benzene sulfonamides against the zinc enzyme carbonic anhydrase (CA, E.C. 4.2.1.1). The methodol. is extended to model diuretic activity and lipophilicity of benzene sulfonamide derivatives The regression anal. of the data has shown that the NMR chem. shift is incapable of modeling lipophilicity. However, it is quite useful for modeling the diuretic activity of these derivatives The results are compared with those obtained using distance-based topol. indexes: Wiener (W)-, Szeged (Sz)-, and PI (Padmakar-Ivan) indexes. The experimental process involved the reaction of 3-Nitro-4-chlorobenzenesulfonamide(cas: 97-09-6).SDS of cas: 97-09-6
The Article related to nmr chem shift carbonic anhydrase inhibitor diuretic qsar, Pharmacology: Structure-Activity and other aspects.SDS of cas: 97-09-6
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