IKK-16 (IKK Inhibitor VII; IKK 16)

Description: IKK-16 (also known as IKK Inhibitor VII; IKK-16; IKK16) is a novel, potent and selective IkappaBalpha kinase (IKK) inhibitor with potential anti-inflammatory activity. It inhibits IKK-2, IKK complex and IKK-1 with IC50s of 40 nM, 70 nM and 200 nM in cell-free assays, respectively. In addition, IKK-16 has been found to be active at thioglycollate-induced peritonitis model in the mouse. Furthermore, IKK-16 has revealed to be an orally bio-available in rats and mice, and have significant in vivo activity in an acute model of cytokine release.

References: Bioorg Med Chem Lett. 2006 Jan 1; 16(1):108-12.

Related CAS #: 1186195-62-9 (HCl) 873225-46-8 (free base)

Synonym: IKK 16; IKK Inhibitor VII; IKK-16; IKK16;

Chemical Name: (4-((4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)amino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone

InChi Key: BWZJBXAPRCVCKQ-UHFFFAOYSA-N

InChi Code: InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2, 5-11, 14, 19, 23H, 3-4, 12-13, 15-18H2, (H, 29, 30, 31)

SMILES Code: O=C(C1=CC=C(NC2=NC=CC(C3=CC4=CC=CC=C4S3)=N2)C=C1)N5CCC(N6CCCC6)CC5