Synthesis and structural investigation of new derivate of 5-mercapto-3-phenyl-1,3,4-thiadiazol-2-thione.

Heterocyclic compounds of 1,3,4-thiadiazole are the important class of substances with a wide spectrum of biological activity.

In the conditions of experiment, was synthesed a new 1,3,4-thiadiazole derivative - 5,5'-(methylenebis(sulfanediyl))bis(3-phenyl-1,3,4-thiadiazole-2(3H)-thione) and was estimated the structural features of compound, as well as analysis of its potential biological activity.

The crystal structure of (methylenebis(sulfanediyl))bis(3-phenyl-1,3,4-thiadiazole-2(3H)-thione) has been determined by X-ray diffraction and intermolecular interactions have been analyzed by HS. Crystallographic data have been deposited with Cambridge Crystallographic Data Centre (Deposite Number 2255753).

The biological activity spectrum of 5,5'-(methylenebis(sulfanediyl))bis(3-phenyl-1,3,4-thiadiazole-2(3H)-thione) were studied by PASS Online software, and obtained data let to describe biological activity properties in a depending of its structure. According to the data of analysis, 5,5'-(methylenebis(sulfanediyl))bis(3-phenyl-1,3,4-thiadiazole-2(3H)-thione) was very likely to exhibit the activity of аmyloid beta precursor protein antagonist.

On the base of structural features of that compound, we suppose that on the molecular level, the 1,3,4-thiazole moieties of new derivative, will interact with protein’s cysteine ​​residues. Additionally, the presence of a disulfide bridge separated by a methylene fragment will facilitate easy penetration through the cell membrane, leading to subsequent exhibiting activity. Confirmation of the potential properties of the new compound and researching the interconnection between the structure of 1,3,4-thiadiazole derivative and its biological activity, as well as explanations of its action mechanism on the molecular level, are ongoing.