Guo, Jing published the artcileDesign, synthesis, structure-activity relationships study and X-ray crystallography of 3-substituted-indolin-2-one-5-carboxamide derivatives as PAK4 inhibitors, Product Details of C10H7ClN2O, the main research area is indolinone preparation SAR docking PAK4 inhibitor crystal mol structure; Indolin-2-one; X-ray crystallography; p21-activated kinase 4.
We have previously described the identification of indolin-2-one-5-carboxamides as potent PAK4 inhibitors. This study expands the structure-activity relationships on our original series by presenting several modifications in the lead compounds, I and II. A series of novel derivatives was designed, synthesized, and evaluated in biochem. and cellular assay. Most of this series displayed nanomolar biochem. activity and potent antiproliferative activity against A549 and HCT116 cells. The representative compound III exhibited excellent enzyme inhibition (PAK4 IC50 = 25 nM) and cellular potency (A549 IC50 = 0.58 μM, HCT116 IC50 = 0.095 μM). An X-ray structure of compound III bound to PAK4 was obtained. Crystallog. anal. confirmed predictions from mol. modeling and helped refine SAR results. In addition, Compound III displayed focused multi-targeted kinase inhibition, good calculated drug-likeness properties. Further profiling of compound III revealed it showed weak inhibitory activity against various isoforms of human cytochrome P 450.
European Journal of Medicinal Chemistry published new progress about Antitumor agents. 62457-94-7 belongs to class imidazoles-derivatives, name is (4-Chlorophenyl)(1H-imidazol-2-yl)methanone, and the molecular formula is C10H7ClN2O, Product Details of C10H7ClN2O.
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem