IKK-16, IkappaB kinase inhibitor

주요 정보

CAS 번호

1186195-62-9

제형

Solid

form

Molecular weight

520.1 Da

Molecular formula

C₂₈H₃₀ClN₅OS

PubChem

56972179

Nature

Synthetic

생화학적 명칭

IKK 16 (hydrochloride)

생물학적 정보

Potent, selective IκB kinase (IKK) inhibitor (IC₅₀ values are 40, 70 and 200 nM for IKKβ, IKK complex and IKKα respectively). Inhibits TNF-α-stimulated IκB degradation and expression of adhesion molecules E-selectin, ICAM and VCAM. Inhibits LPS-induced TNF-α release in vivo and neutrophil extravasion in thioglycollate-induced peritonitis.

Canonical SMILES

C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC6=CC=CC=C6S5.Cl

InChi

InChI=1S/C28H29N5OS.ClH/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);1H

InChiKey

XFVDIVQCZWDBCW-UHFFFAOYSA-N

IUPAC Name

[4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride