IKK-16 (hydrochloride)

IKK-16 is a potent inhibitor of IkappaB kinases (IKKs), displaying IC50 values of 200, 40, and 70 nM for IKKalpha, IKKbeta, and IKK complex, respectively, in cell-free assays. It is effective in cells and in animals and has been used delineate the role of NF-kappaB signaling in diverse contexts. IKK-16 has also been reported to inhibit protein kinase D isoforms and the ATP-binding cassette (ABC) transporter ABCB1.Formal Name: [4-[(4-benzo[b]thien-2-yl-2-pyrimidinyl)amino]phenyl][4-(1-pyrrolidinyl)-1-piperidinyl]-methanone, monohydrochloride. CAS Number: 1186195-62-9. Synonyms: IKK Inhibitor VII. Molecular Formula: C28H29N5OS . HCl. Formula Weight: 520.1. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 5 mg/ml, DMSO: 10 mg/ml, DMSO:PBS (pH 7.2) (1:2): 0.3 mg/ml. lambdamax: 209, 263, 309 nm. SMILES: O=C(N1CCC(N2CCCC2)CC1)C3=CC=C(C=C3)NC4=NC=CC(C5=CC(C=CC=C6)=C6S5)=N4.Cl. InChi Code: 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. InChi Key: XFVDIVQCZWDBCW-UHFFFAOYSA-N.