WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 205796
Description: Rociletinib, also known as AVL-301 and CO1686, is an orally available small molecule, irreversible inhibitor of epidermal growth factor receptor (EGFR) with potential antineoplastic activity. EGFR inhibitor CO-1686 binds to and inhibits mutant forms of EGFR, including T790M, thereby leading to cell death of resistant tumor cells. Compared to other EGFR inhibitors, CO-1686 inhibits T790M, a secondary acquired resistance mutation, as well as other mutant EGFRs and may have therapeutic benefits in tumors with T790M-mediated resistance to other EGFR tyrosine kinase inhibitors.
MedKoo Cat#: 205796
Chemical Formula: C27H28F3N7O3
Exact Mass: 555.22057
Molecular Weight: 555.55
Elemental Analysis: C, 58.37; H, 5.08; F, 10.26; N, 17.65; O, 8.64
Synonym: CO1686; CO-1686; CO 1686; AVL301; AVL 301; AVL-301; CNX419; CNX 419; CNX-419; Rociletinib.
IUPAC/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
CNX-2006 is a Me-Too version of CO-1686, which structures are compared as below:
1: Liu SV, Subramaniam D, Cyriac GC, Abdul-Khalek FJ, Giaccone G. Emerging protein kinase inhibitors for non-small cell lung cancer. Expert Opin Emerg Drugs. 2014 Mar;19(1):51-65. doi: 10.1517/14728214.2014.873403. Epub 2013 Dec 20. PubMed PMID: 24354593.