ChemicalBook--->CAS DataBase List--->366017-09-6

366017-09-6

366017-09-6 Structure

366017-09-6 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[HS Code ]

2934.99.4400
Hazard InformationBack 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 .
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Mubritinib(366017-09-6)1HNMR
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