1H-pyrazole-appended pyridines and their 1,2,4-triazine precursors: a rational synthesis and in silico and in vitro evaluation of anti-cancer activity / A. P. Krinochkin, Y. K. Shtaitz, A. K. Rammohan [et al.] // European Journal of Organic Chemistry. - 2022. - Vol. 2022, № 22. - Pe202200227 Рубрики: ХИМИЧЕСКИЕ НАУКИ Аннотация: An operationally facile and high yielding one-pot protocol has been developed for the preparation of pyridines appended with pyrazole via NH linker. This protocol includes SNipso/aza-Diels-Alder reactions in up to 54 % yields starting from 1,2,4-triazine precursors. All the synthesized compounds have been evaluated for their in silico activity against JAK1, SYK, and FAK1 kinases. The most promising compound was tested in vitro using A-172, Hs578T, and HepG2 cancer cell lines and exhibited considerable cytotoxicity with IC50 values 50 μM in A-172 and HepG2 cell lines. Anticancer in vitro activity correlates well with the predicted in silico data. |