CAS 366017-09-6|Mubritinib

Introduction：Basic information about CAS 366017-09-6|Mubritinib, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Mubritinib BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	Mubritinib
CAS Number	366017-09-6	Molecular Weight	468.471
Density	1.3±0.1 g/cm3	Boiling Point	620.9±65.0 °C at 760 mmHg
Molecular Formula	C₂₅H₂₃F₃N₄O₂	Melting Point	158.0 to 162.0 °C
MSDS	ChineseUSA	Flash Point	329.3±34.3 °C

Names

Name	4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
Synonym	More Synonyms

Mubritinib BiologicalActivity

Description	Mubritinib (TAK-165) is a potent and selective EGFR2/HER2 inhibitor with an IC50 of 6 nM.
Related Catalog	Research Areas >>Cancer
Target	HER2:6 nM (IC50)
In Vitro	TAK-165 specifically inhibits HER2 tyrosine kinase with an IC50 6 nM and does not inhibit other types tyrosine kinase up to 25 000 nM. TAK-165 inhibits HER2 phosphorylation and its down-stream Akt and MAPK in HER2 strongly expressing cells (BT474 breast cancer cell line). TAK-165 sensitivity depends on HER2 levels of each cell line. Especially, BT474 cells which over-express HER2 strongly is highly sensitive (IC50=0.005 µM) and PC-3 cells which express HER2 very weakly is less sensitive (IC50=4.62 µM). But, HT1376 and ACHN cells that over-expressed EGFR showed high IC50 (IC50>25 µM)[1].
In Vivo	In the xenograft model, treatment with 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].
Cell Assay	Cells are treated with TAK-165 at various concentrations for 72 h. After the incubation period, the cells are counted. The IC50 value is calculated from a dose–response curve generated by least-squares linear regression of the response[1].
Animal Admin	Mice: UMUC-3 and LN-REC4 cells are implanted with 50% Matrigel solution. After the tumor volume reaches 200–300 mm3 in LN-REC4 and UMUC-3 cells and to 100–200 mm3 in ACHN, the mice are treated orally twice daily for 14 days with vehicle (control) or 10 or 20 mg/kg per day of TAK-165. In the Herceptin study against UMUC-3, treatments consist of a twice weekly intraperitoneal injection of 20 mg/kg Herceptin in PBS for 2 weeks. Tumor growth is assessed by electronic caliper measurement of tumor diameter in two dimensions, and tumor volume is calculated[1].
References	[1]. Nagasawa J, et al. Novel HER2 selective tyrosine kinase inhibitor, TAK-165, inhibits bladder, kidney and androgen-independent prostate cancer in vitro and in vivo. Int J Urol. 2006 May;13(5):587-92.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	620.9±65.0 °C at 760 mmHg
Melting Point	158.0 to 162.0 °C
Molecular Formula	C₂₅H₂₃F₃N₄O₂
Molecular Weight	468.471
Flash Point	329.3±34.3 °C
Exact Mass	468.177307
PSA	65.97000
LogP	5.91
Vapour Pressure	0.0±1.8 mmHg at 25°C
Index of Refraction	1.578
InChIKey	ZTFBIUXIQYRUNT-MDWZMJQESA-N
SMILES	FC(F)(F)c1ccc(C=Cc2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1
Storage condition	Store at +4°C

Safety Information

RIDADR	NONH for all modes of transport

Synonyms

Mubritinib (TAK 165)

UNII-V734AZP9BR

1-(4-{4-[(2-{(E)-2-[4-(Trifluoromethyl)phenyl]vinyl}-1,3-oxazol-4-yl)methoxy]phenyl}butyl)-1H-1,2,3-triazole

Mubritinib,TAK 165,TAK165

Oxazole, 4-[[4-[4-(1H-1,2,3-triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-

(E)-1-(4-(4-((2-(4-(trifluoromethyl)styryl)oxazol-4-yl)methoxy)phenyl)butyl)-1H-1,2,3-triazole

TAK 165

Mubritinib

cc-594

1H-1,2,3-triazole, 1-(4-(4-((2-((1E)-2-(4-(trifluoromethyl)phenyl)ethenyl)-4-oxazolyl)methoxy)phenyl)butyl)-

S2216_Selleck

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