药物发现
效力
化学
药品
药代动力学
体内
药理学
小分子
突变体
激酶
体外
MAPK/ERK通路
生物化学
生物
基因
生物技术
作者
Peng Zhao,Linghang Zhuang,Xiangzhu Wang,Song Huang,He‐Ping Wu,Yu Zhou,Yuna Yan,Fan Zhang,Ru Shen,Jing Li,Suxing Liu,Rumin Zhang,Ping Dong,Yuchang Mao,Yuanmin Fan,Chunyong He,Jiakang Sun,Lei Zhang,Qiyue Hu,Hong Wan
标识
DOI:10.1016/j.ejmech.2021.114040
摘要
The RAS-RAF-MEK-ERK signaling pathway plays a key role to regulate multiple cellular functions. Acquired resistance to the first-generation RAF inhibitors that only targeted the bRAFV600E mutation prompted the need for a new generation of RAF inhibitors to target cancers bearing mutant RAS and wild type RAF activity by inhibition of paradoxical activation. Starting from the company's previously reported RAF inhibitor 1, extensive drug potency and drug-like properties optimizations led to the discovery of molecule 33 (SHR902275) with greatly improved in vitro potency and solubility. Molecule 33 exhibited good DMPK (Drug Metabolism and Pharmacokinetics) properties, excellent permeability, and outstanding mouse/rat oral PK. It was further evaluated in an in vivo RAS mutant Calu6 xenograft mouse model and demonstrated dose dependent efficacy. To achieve high exposure in a toxicity study, pro-drug 48 was also explored.
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