Synthesis and properties of S-alkyl 4-amino-5-(5-(3-fluorophenyl)-pyrazol-3-yl)-1,2,4-triazole-3-thiol derivatives

An important direction of modern pharmaceutical science is the creation promising biologically active compounds, which in hands scientists can be transformed into effective medicinal products. Heterocyclic compounds are undisputed leader solving this problem. A well-known fact and a well-founded approach to achieving desired pharmacological effect combination different heterocyclic fragments structure one molecule. And here it makes sense focus our attention on such heterocycles as pyrazole 1,2,4-triazole. After all, number medicines have already been invented their basis. Thus, construction chemical tandem with blocks specified nature an actual scientific work. The aim work was create S-alkyl derivatives 4-amino-5-(5-(3-fluorophenyl)pyrazol-3-yl)-1,2,4-triazole-3-thiol study properties, well preliminary selective establishment biological potential these compounds. Materials methods. synthesis target products transformation successfully implemented by step-by-step use methods organic synthesis. first stage help available reagents, role performed diethyl oxalate 1-(3-fluorophenyl)ethan-1-one participation sodium methylate. next involved hydrazinolysis. Subsequently, corresponding potassium xanthogenate synthesized, subsequently under action hydrazine hydrate 4-amino-5-(5-(3-fluorophenyl)pyrazol-3-yl)-1,2,4-triazole-3-thiol. S-alkylation. all synthesized substances determined IR spectrophotometry, 1H NMR spectroscopy, elemental analysis. individuality confirmed high-performance liquid chromatography-mass spectrometry. In silico studies were carried out software products, namely: AutoDock Vina, Biovia Discovery Studio, Hyper Chem 7.5, Open Babel. Cyclooxygenase-2, lanosterol 14α-demethylase, anaplastic lymphoma kinase used model enzymes. Results. optimal conditions for stepwise established preparation out. molecular docking made possible determine perspective further research anti-inflammatory, antifungal, antitumor properties structures. Conclusions. reasonably objects antifungal activity.