CAS 366017-09-6 MFCD09954135-Mubritinib 木利替尼 -LabNovo

SMILES: FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1

Chemical Name	Mubritinib
Reaxys-RN	13498857
Chemical Name Translation	木利替尼
MDL Number	MFCD09954135
PubChem Substance ID	354335238
Formula	C25H23F3N4O2
Synonym	Mubritinib; TAK 165; TAK-165; TAK165
IUPAC Name	(E)-4-((4-(4-(1H-1,2,3-triazol-1-yl)butyl)phenoxy)methyl)-2-(4-(trifluoromethyl)styryl)oxazole
InChIKey	ZTFBIUXIQYRUNT-MDWZMJQESA-N
InChI	InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+
Canonical SMILES	FC(C1=CC=C(C=C1)/C=C/C2=NC(COC3=CC=C(CCCCN4N=NC=C4)C=C3)=CO2)(F)F

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Mubritinib, also known as TAK-165, is a protein kinase inhibitor which was under development by Takeda for the treatment of cancer. It completed phase I clinical trials (may be discontinued since 2008). Mubritinib(TAK 165) is a potent EGFR, HER2 and p34cdc2 inhibitor with IC50 of 6 nM and 0.2 ÂµM, respectively. Mubritinib(TAK 165) also inhibits p33cdk2 and p33cdk5. Mubritinib(TAK 165) displays > 4000-fold selectivity over EGFR, FGFR, PDGFR, JAK1 and Src. Mubritinib(TAK 165) exhibits potent antiproliferative effects in ErbB2-overexpressing cancer cell lines (IC50 = 5 nM in BT474 breast cancer cells) and significantly inhibits bladder, breast and prostate cancer xenograft growth in vivo. (source: http://en.wikipedia.org/wiki/Mubritinib).

Storage condition 0-10°C Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

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