Subi, S.; Rose, S. Viola; Reji, T. F. Abbs Fen published the artcile< Synthesis, characterization, DFT study, molecular modelling and biological evaluation of novel 5-aryl-3-(pyridine-3-yl)isoxazole hybrids as potent anticancer agents with inhibitory effect on skin cancer>, Synthetic Route of 350-03-8, the main research area is pyridineyl isoxazole preparation antioxidant antitumor DFT human mol docking.
A novel series of pyridinyl isoxazole derivatives I [Ar = Ph, 4-ClC6H4, 4-MeC6H4, 4-MeOC6H4, PhCH=CH] was synthesized obtained from 5-aryl-3-(pyridine-3-yl)-2-propen-1-ones and hydroxylamine hydrochloride. Geometrical and electronic properties of pyridinyl isoxazole derivative were investigated by using B3LYP/6-31G (d.p) basis sets. The HOMO and LUMO anal. was used to determine the charge transfer within the mol. The pyridinyl isoxazole derivatives I exhibited good docking scores against liver cancer 4MMH. The results revealed clearly compound I [Ar = 4-ClC6H4] exhibited better radical scavenging ability. Among the synthesized pyridinyl isoxazole derivatives, compound I [Ar = 4-ClC6H4] was highly active on the SKMEL cell line (human skin cancer).
Asian Journal of Chemistry published new progress about Antioxidants. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Synthetic Route of 350-03-8.