Ensartinib
CAS 1370651-20-9 MFCD470651209
化学结构图
SMILES: CC1CN(C(=O)c2ccc(NC(=O)c3cc(OC(C)c4c(Cl)ccc(F)c4Cl)c(N)nn3)cc2)CC(C)N1
化学属性
| Mol. Weight | 561.4394 |
|---|---|
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| PubChem Substance ID | 56960363 |
|---|---|
| InChI | InChI=1S/C26H27Cl2FN6O3/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36)/t13-,14+,15-/m1/s1 |
| Synonym | 6-amino-5-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-N-(4-(4-methylpiperazine-1-carbonyl)phenyl)pyridazine-3-carboxamide X-396 X396; X-396; X 396; Ensartinib. ensartinib |
| Chemical Name | Ensartinib |
| Formula | C26H27Cl2FN6O3 |
| IUPAC Name | 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-{4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl}pyridazine-3-carboxamide |
| InChIKey | GLYMPHUVMRFTFV-QLFBSQMISA-N |
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产品应用
- Ensartinib, also known as X-396, is an orally available small molecule inhibitor of the receptor tyrosine kinase anaplastic lymphoma kinase (ALK) with potential antineoplastic activity. Upon oral administration, X-396 binds to and inhibits ALK kinase, ALK fusion proteins and ALK point mutation variants. Inhibition of ALK leads to the disruption of ALK-mediated signaling and eventually inhibits tumor cell growth in ALK-expressing tumor cells. ALK belongs to the insulin receptor superfamily and plays an important role in nervous system development.
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