366017-09-6
366017-09-6 structure
- Name: Mubritinib
- Chemical Name: 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
- CAS Number: 366017-09-6
- Molecular Formula: C25H23F3N4O2
- Molecular Weight: 468.471
- Catalog: API Antineoplastic agents Tinic antineoplastic agents
- Create Date: 2018-10-02 15:20:45
- Modify Date: 2024-01-04 09:38:35
-
Mubritinib (TAK-165) is a potent and selective EGFR2/HER2 inhibitor with an IC50 of 6 nM.
| Name | 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole |
|---|---|
| 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 |
| Description | Mubritinib (TAK-165) is a potent and selective EGFR2/HER2 inhibitor with an IC50 of 6 nM. |
|---|---|
| Related Catalog | |
| 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 |
| 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 |
| Storage condition | Store at +4°C |
| RIDADR | NONH for all modes of transport |
|---|