| Identification | Back Directory | [Name]
Mubritinib | [CAS]
366017-09-6 | [Synonyms]
CS-522
TAK 165
MUBRITINIB
TAK165;TAK-165
Mubritinib(TAK 165)
Mubritinib USP/EP/BP
(E)-4-((4-(4-(1H-1,2,3-Triazol-1-yl)butyl)phenoxy)methyl)-2-(4-(trifluoromethyl)styryl)oxazole
(E)-1-(4-(4-((2-(4-(trifluoromethyl)styryl)oxazol-4-yl)methoxy)phenyl)butyl)-1H-1,2,3-triazole
1-(4-(4-((2-((1E)-2-(4-(Trifluoromethyl)phenyl)ethenyl)-4-oxazolyl)methoxy)phenyl)butyl)-1H-1,2,3-triazole
1H-1,2,3-Triazole, 1-[4-[4-[[2-[(1E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-4-oxazolyl]methoxy]phenyl]butyl]-
Mubritinib 1-(4-(4-((2-((1E)-2-(4-(Trifluoromethyl)phenyl)ethenyl)-4-oxazolyl)methoxy)phenyl)butyl)-1H-1,2,3-triazole
1-(4-(4-((2-((1E)-2-(4-(Trifluoromethyl)phenyl)ethenyl)-4-oxazolyl)methoxy)phenyl)butyl)-1H-1,2,3-triazole Mubritinib (TAK 165) | [Molecular Formula]
C25H23F3N4O2 | [MDL Number]
MFCD09954135 | [MOL File]
366017-09-6.mol | [Molecular Weight]
468.47 |
| Chemical Properties | Back Directory | [Melting point ]
158.0 to 162.0 °C | [Boiling point ]
620.9±65.0 °C(Predicted) | [density ]
1.25±0.1 g/cm3(Predicted) | [storage temp. ]
Store at +4°C | [solubility ]
DMSO : 50 mg/mL (106.73 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble) | [form ]
powder to crystal | [pka]
1.45±0.10(Predicted) | [color ]
White to Gray to Brown | [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+ | [InChIKey]
ZTFBIUXIQYRUNT-MDWZMJQESA-N | [SMILES]
N1(CCCCC2=CC=C(OCC3=COC(/C=C/C4=CC=C(C(F)(F)F)C=C4)=N3)C=C2)C=CN=N1 |
| Hazard Information | Back Directory | [Uses]
Treatment of cancer. | [Biological Activity]
Potent, irreversible human epithelial growth factor receptor 2 (ErbB2) inhibitor (IC 50 = 6 nM) that displays > 4000-fold selectivity over EGFR, FGFR, PDGFR, JAK1 and Src. Exhibits potent antiproliferative effects in ErbB2-overexpressing cancer cell lines (IC 50 = 5 nM in BT474 breast cancer cells) and significantly inhibits bladder, breast and prostate cancer xenograft growth in vivo . | [in vivo]
In the xenograft model, treatment with Mubritinib (TAK-165) significantly inhibits growth of UMUC-3, ACHN, and LN-REC4. The antitumor effect after 14 days treatment are 22.9%, 26.0%, and 26.5% in UMUC3, ACHN and LN-REC4, respectively[1]. | [IC 50]
HER2: 6 nM (IC50) | [storage]
Store at -20°C |
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