Gotsulya A. Synthesis, transformation, physicochemical and biological properties in number N- та S-substituted 1,2,4-triazole-3-thiol, which contain the core of pyrrole, pyrazole, purine and xanthine

The dissertation work is a comprehensive fundamental study aimed at identifying biologically active compounds in a number of 5-heteryl derivatives of 4-R-1,2,4-triazole-3-thiol. Optimal conditions for the course of a number of chemical transformations are established, the physico-chemical properties of synthesized compounds are studied, and substances with a significant potential of pharmacological properties are identified. The formation of 6-phenyl-3-R-[1,2,4]triazolo[1,3,4]thiadiazines and 3-R-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiazole-6-amines was optimized using 7-((3-thio-4-amino-1,2,4-triazole-5-yl)methyl)theophylline as the starting substance. The complex use of methods in silico, in vivo and in vitro allowed us to identify a number of biologically active compounds and draw certain conclusions about the relationship "pharmacological activity – structure of the substance". For the active pharmaceutical ingredient based on N'-(2-(5-((theophylline-7-yl)methyl)-4-ethyl-1,2,4-triazole-3-ylthio)acetyl)isonicotinohydrazide are proposed by the quality control method, laboratory synthesis techniques and technical conditions.