Mubritinib
Modify Date: 2025-08-25 18:34:02
Mubritinib structure
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Common Name | Mubritinib | ||
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| 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 | Chinese USA | Flash Point | 329.3±34.3 °C | |
Use of MubritinibMubritinib (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 |
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| Synonym | More Synonyms |
| Description | Mubritinib (TAK-165) is a potent and selective EGFR2/HER2 inhibitor with an IC50 of 6 nM. |
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| 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 |
| InChIKey | ZTFBIUXIQYRUNT-MDWZMJQESA-N |
| SMILES | FC(F)(F)c1ccc(C=Cc2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1 |
| Storage condition | Store at +4°C |
| RIDADR | NONH for all modes of transport |
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Name: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhib...
Source: ChEMBL
Target: Aurora kinase A
External Id: CHEMBL3991630
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Name: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhib...
Source: ChEMBL
Target: Serine/threonine-protein kinase ATR
External Id: CHEMBL3991629
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Name: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhib...
Source: ChEMBL
Target: Breakpoint cluster region protein
External Id: CHEMBL3991632
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Name: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhib...
Source: ChEMBL
Target: Aurora kinase B
External Id: CHEMBL3991631
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Name: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhib...
Source: ChEMBL
Target: RAC-gamma serine/threonine-protein kinase
External Id: CHEMBL3991625
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Name: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhib...
Source: ChEMBL
Target: Serine/threonine-protein kinase A-Raf
External Id: CHEMBL3991628
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Name: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhib...
Source: ChEMBL
Target: Tyrosine-protein kinase BTK
External Id: CHEMBL3991638
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Name: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhib...
Source: ChEMBL
Target: Serine/threonine-protein kinase B-raf
External Id: CHEMBL3991637
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Name: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhib...
Source: ChEMBL
Target: Mitotic checkpoint serine/threonine-protein kinase BUB1
External Id: CHEMBL3991639
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Name: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhib...
Source: ChEMBL
Target: Bone morphogenetic protein receptor type-1A
External Id: CHEMBL3991634
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| 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 |
| (E)-1-(4-(4-((2-(4-(trifluoromethyl)styryl)oxazol-4-yl)methoxy)phenyl)butyl)-1H-1,2,3-triazole |
| TAK 165 |
| Mubritinib |
| cc-594 |
| S2216_Selleck |