6-Amino-4-aryl-3-carbamoyl-5-cyano-1,4-dihydropyridine-2-thiolates: Synthesis, reactions and docking studies

Victor Dotsenko, Nawras Alghreeb T. Jassim, Nicolai Aksenov
2020 Proceedings of The 24th International Electronic Conference on Synthetic Organic Chemistry   unpublished
New triethylammonium 6-amino-4-aryl-3-carbamoyl-5-cyano-1,4-dihydropyridine-2thiolates were prepared in good yields by ternary condensation of malononitrile, aldehydes and monothiomalonamide in the presence of Et3N. The thiolates undergo S-alkylation under mild conditions to give new 1,4-dihydronicotinamides. Molecular docking studies were carried out in order to explore the interaction mechanism and to investigate suitable binding modes of the new compounds on the calcium channel proteins.
more » ... of the compounds in experiments in silico were found to be more potent as calcium channel blockers than reference drug Nifedipine.
doi:10.3390/ecsoc-24-08394 fatcat:b3er5ryi6rfihdkmdwi3fjfone