Synthesis, CYP 450 evaluation, and docking simulation of novel 4-aminopyridine and coumarin derivatives was written by Ghalehshahi, Hajar G.;Balalaie, Saeed;Sohbati, Hamid R.;Azizian, Homa;Alavijeh, Mohammad S.. And the article was included in Archiv der Pharmazie (Weinheim, Germany) in 2019.Computed Properties of C7H7ClN2 This article mentions the following:
Four series of novel compounds based on 4-aminopyridine, glatiramer acetate, pyrone, and coumarin backbones were sufficiently synthesized and identified by spectroscopic methods. CYP enzyme inhibition assays of five predominate human P 450 isoenzymes indicate that all compounds, except for 4-hydrazide pyridine 1c, seem to be less toxic than 4-aminopyridine. Further investigation of the compounds using mol. docking experiments revealed different, the same, or stronger binding modes for most of the synthesized compounds, with both polar and hydrophobic interactions with the 1WDA and 1J95 receptors compared to benzoyl
1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Computed Properties of C7H7ClN2