rociletinib-co-1686-avl-301

Description: Rociletinib (formerly CO1686; AVL301; CNX419) is an orally bioavailable, covalent / irreversible, and mutant-selective EGFR (e.g. T790M) inhibitor with potential antineoplastic activity. It inhibits EGFRL858R/T790M and EGFRWT with Ki values of 21.5 nM and 303.3 nM in cell-free assays, respectively. Rociletinib shows potent anti-proliferative activity in vitro and high in vivo antitumor efficacy by binding to and inhibiting mutant forms of EGFR such as T790M, thus leading to cell death of resistant tumor cells.

References: Cancer Discov. 2013 Dec; 3(12):1404-15.

Related CAS No.: 1374640-70-6 (free base) 1446700-26-0 (HBr)

Synonym: Rociletinib; AVL301; CO 1686; AVL 301; CNX419; AVL-301; CO1686; CO-1686; CNX 419; CNX-419.

Chemical Name: N-(3-((2-((4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acrylamide

InChi Key: HUFOZJXAKZVRNJ-UHFFFAOYSA-N

InChi Code: InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28, 29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9, 14-16H, 1, 10-13H2, 2-3H3, (H, 32, 39)(H2, 31, 33, 34, 35)

SMILES Code: C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(C)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O