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Description: Radotinib (formerly IY-5511; IY5511; trade name Supect) is a novel, potent, selective, orally bioavailable, and 2nd generation BCR-ABL1 tyrosine kinase inhibitor with potential antineoplastic activity. It inhibits BCR-ABL1 with an IC50 of 34 nM. It was developed by Ilyang Pharmaceutical in S. Korea and has the potential for the treatment of Chronic Myeloid Leukemia.
References: Haematologica. 2014 Jul; 99(7):1191-6; PLoS One. 2015 Jun 12; 10(6):e0129853.
Related CAS #: 926037-48-1 (free base) 926037-85-6 (2HCl)
Chemical Name: 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyrazin-2-yl)pyrimidin-2-yl)amino)benzamide
InChi Key: DUPWHXBITIZIKZ-UHFFFAOYSA-N
InChi Code: InChI=1S/C27H21F3N8O/c1-16-3-4-18(9-23(16)37-26-33-6-5-22(36-26)24-13-31-7-8-32-24)25(39)35-20-10-19(27(28, 29)30)11-21(12-20)38-14-17(2)34-15-38/h3-15H, 1-2H3, (H, 35, 39)(H, 33, 36, 37)
SMILES Code: O=C(NC1=CC(C(F)(F)F)=CC(N2C=C(C)N=C2)=C1)C3=CC=C(C)C(NC4=NC=CC(C5=NC=CN=C5)=N4)=C3
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