Mubritinib 木利替尼
CAS 366017-09-6 MFCD09954135
化学结构图
SMILES: FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1
化学属性
| Mol. Formula | C25H23F3N4O2 |
|---|---|
| Mol. Weight | 468.48 |
| Melting Point | 158.0 to 162.0 deg-C |
| Appearance | white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | Mubritinib |
|---|---|
| Reaxys-RN | 13498857 |
| Chemical Name Translation | 木利替尼 |
| MDL Number | MFCD09954135 |
| PubChem Substance ID | 354335238 |
| Formula | C25H23F3N4O2 |
| Synonym | Mubritinib; TAK 165; TAK-165; TAK165 |
| IUPAC Name | (E)-4-((4-(4-(1H-1,2,3-triazol-1-yl)butyl)phenoxy)methyl)-2-(4-(trifluoromethyl)styryl)oxazole |
| InChIKey | ZTFBIUXIQYRUNT-MDWZMJQESA-N |
| 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+ |
| Canonical SMILES | FC(C1=CC=C(C=C1)/C=C/C2=NC(COC3=CC=C(CCCCN4N=NC=C4)C=C3)=CO2)(F)F |
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产品应用
- Mubritinib, also known as TAK-165, is a protein kinase inhibitor which was under development by Takeda for the treatment of cancer. It completed phase I clinical trials (may be discontinued since 2008). Mubritinib(TAK 165) is a potent EGFR, HER2 and p34cdc2 inhibitor with IC50 of 6 nM and 0.2 µM, respectively. Mubritinib(TAK 165) also inhibits p33cdk2 and p33cdk5. Mubritinib(TAK 165) displays > 4000-fold selectivity over EGFR, FGFR, PDGFR, JAK1 and Src. Mubritinib(TAK 165) exhibits potent antiproliferative effects in ErbB2-overexpressing cancer cell lines (IC50 = 5 nM in BT474 breast cancer cells) and significantly inhibits bladder, breast and prostate cancer xenograft growth in vivo. (source: http://en.wikipedia.org/wiki/Mubritinib).
