Bosutinib (SKI-606; Bosulif)

Description: Bosutinib (formerly also known as SKI-606; trade name Bosulif) is a novel, quinolone-based, and potent dual Src/Abl kinase inhibitor with potential antitumor activity. It inhibits Src and Abl with IC50 of 1.2 nM and 1 nM in cell-free assays, respectively. Bosutinib was approved by the US FDA and EU European Medicines Agency on September 4, 2012 and 27 March 2013 respectively for treating Philadelphia chromosome-positive (Ph+) chronic myelogenous leukemia (CML) in adult patients.

References: Cancer Res. 2003 Jan 15; 63(2):375-81; J Med Chem. 2001 Nov 8; 44(23):3965-77.

Synonym: Bosutinib; SKI606; SKI 606; SK-I606; trade name: Bosulif.

Chemical Name: 4-(2, 4-dichloro-5-methoxyphenylamino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile

InChi Key: UBPYILGKFZZVDX-UHFFFAOYSA-N

InChi Code: InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14, 16H, 4-10H2, 1-3H3, (H, 30, 31)

SMILES Code: N#CC1=C(NC2=CC(OC)=C(Cl)C=C2Cl)C3=CC(OC)=C(OCCCN4CCN(C)CC4)C=C3N=C1