Computed Properties of C8H10FNOIn 2017, Guo, Jing;Zhu, Mingyue;Wu, Tianxiao;Hao, Chenzhou;Wang, Kai;Yan, Zizheng;Huang, Wanxu;Wang, Jian;Zhao, Dongmei;Cheng, Maosheng published 《Discovery of indolin-2-one derivatives as potent PAK4 inhibitors: Structure-activity relationship analysis, biological evaluation and molecular docking study》. 《Bioorganic & Medicinal Chemistry》published the findings. The article contains the following contents:
Utilizing a pharmacophore hybridization approach, a novel series of substituted indolin-2-one derivatives were designed, synthesized and evaluated for their in vitro biol. activities against p21-activated kinase 4. Three compounds including I exhibited the most potent inhibitory activity against PAK4 (IC50 = 22 nM, 16 nM and 27 nM, resp.). Among them, compound I showed the highest antiproliferative activity against A549 cells (IC50 = 0.83 μM). Apoptosis anal. in A549 cells suggested that compound I delayed cell cycle progression by arresting cells in the G2/M phase of the cell cycle, retarding cell growth. Further investigation demonstrated that compound I strongly inhibited migration and invasion of A549 cells. Western blot anal. indicated that compound I potently inhibited the PAK4/LIMK1/cofilin signaling pathways. Finally, the binding mode between compound I with PAK4 was proposed by mol. docking. A preliminary ADME profile of the compound I was also drawn on the basis of QikProp predictions.(S)-2-Amino-2-(4-fluorophenyl)ethanol (cas: 224434-01-9) were involved in the experimental procedure.
(S) – 2-amino-2 – (4-fluorophenyl) ethanol (cas: 224434-01-9) has the characteristics of alcohol. In general, the hydroxyl group makes alcohols polar. Those groups can form hydrogen bonds to one another and to most other compounds. Computed Properties of C8H10FNO
Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts