Perevoshchikova, Anna N. published the artcileSynthesis and Prediction of the Ubiquinol-cytochrome c Reductase Inhibitory Activity of 3,4-Dihydroisoquinolines and 2-Azaspiro[4.5]decanes (Spiropyrrolines), SDS of cas: 100-70-9, the main research area is ubiquinol cytochrome c reductase inhibitor hydroisoquinoline azaspirodecane.
Isoquinolines rank as the second largest group among the plant alkaloids. Natural isoquinolines and synthetic isoquinoline derivatives exhibit numerous biol. activities. In this study, the approaches to synthesis of new 3,4-dihydroisoquinoline and 2-azaspiro[4.5]decane (spiropyrroline) derivatives annelated by C(3)-C(4) bonds with a cyclohexyl or cyclopentyl moiety have been developed. In accord with the results of biol. activity prediction by the PASS software, mol. docking was carried out on the ubiquinol-cytochrome c reductase (bc1 complex) model. Compounds 6e and 12a,d (I – III, resp.) were found out as potential Q0 site inhibitors of the bovine bc1 complex.
Journal of Heterocyclic Chemistry published new progress about Drug screening (in silico, using PASS software). 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, SDS of cas: 100-70-9.
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts