jnk-in-8

Description: JNK-IN-8 (JNK Inhibitor XVI; JNK-IN8) is the first irreversible/covalent inhibitor of pan-JNK (c-Jun N-terminal Kinase) with potential antitumor activity. It inhibits JNK1/2/4 by covalently binding to Cys116 in their catalytic sites with IC50s of 4.7 nM, 18.7 nM and 1 nM. JNK-IN-8 is a useful probe for exploring JNK-dependent signal transduction.

References: Chem Biol. 2012 Jan 27; 19(1):140-54; Biochem J. 2012 Jan 1; 441(1):339-46; Chem Biol. 2013 Feb 21; 20(2):146-59.

Synonym: JNK Inhibitor XVI; JNK-IN 8; JNK-IN8; JNK-IN 8; c-Jun N-terminal Kinase Inhibitor XVI.

Chemical Name: (E)-3-(4-(dimethylamino)but-2-enamido)-N-(3-methyl-4-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide

InChi Key: GJFCSAPFHAXMSF-UXBLZVDNSA-N

InChi Code: InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15, 17-19H, 16H2, 1-3H3, (H, 32, 37)(H, 33, 38)(H, 31, 34, 35)/b10-6+

SMILES Code: CN(C/C=C/C(NC1=CC=CC(C(NC2=CC=C(C(C)=C2)NC3=NC=CC(C4=CN=CC=C4)=N3)=O)=C1)=O)C