Synthesis and Structure of 4-Aryl-3,6-dioxo-2,3,4,5,6,7-hexahydroisothiazolo[5,4-b]pyridine-5-carbonitriles

Abstract

Oxidation of triethylammonium 6-amino-4-aryl-3-carbamoyl-5-cyano-1,4-dihydropyridine-2-thiolates with DMSO–HCl system leads to the formation of novel 4-aryl-3,6-dioxo-2,3,4,5,6,7-hexahydroisothiazolo[5,4-b]-pyridine-5-carbonitiriles. Structure of the obtained compounds was studied using two-dimensional NMR spectros-copy and HRMS methods. An in silico predictive analysis was carried out to identify bioavailability parameters and possible protein targets for the obtained compounds.