N-(5-(3,5-Difluorobenzyl)-1H-Indazol-3-Yl)-4-(4-Methylpiperazin-1-Yl)-2-((Tetrahydro-2H-Pyran-4-Yl)Amino)Benzamide N-(5-(3,5-二氟苄基)-1H-吲唑-3-基)-4-(4-甲基哌嗪-1-基)-2-((四氢-2H-吡喃-4-基)氨基)苯甲酰胺
CAS 1108743-60-7 MFCD208743607
化学结构图
SMILES: CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1
化学属性
| Mol. Weight | 560.64 |
|---|---|
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | N-(5-(3,5-Difluorobenzyl)-1H-Indazol-3-Yl)-4-(4-Methylpiperazin-1-Yl)-2-((Tetrahydro-2H-Pyran-4-Yl)Amino)Benzamide |
|---|---|
| Chemical Name Translation | N-(5-(3,5-二氟苄基)-1H-吲唑-3-基)-4-(4-甲基哌嗪-1-基)-2-((四氢-2H-吡喃-4-基)氨基)苯甲酰胺 |
| PubChem Substance ID | 25141092 |
| InChI | InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) |
| Synonym | N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methyl-1-piperazinyl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamide NMS-E628 RXDX-101 RXDX101; RXDX 101; RXDX-101; NMS E628; NMSE628; NMS-E628; Entrectinib entrectinib |
| Formula | C31H34F2N6O2 |
| IUPAC Name | N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-((tetrahydro-2H-pyran-4-yl)amino)benzamide |
| InChIKey | HAYYBYPASCDWEQ-UHFFFAOYSA-N |
| Canonical SMILES | O=C(NC1=NNC2=C1C=C(CC3=CC(F)=CC(F)=C3)C=C2)C4=CC=C(N5CCN(C)CC5)C=C4NC6CCOCC6 |
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信息真实价格透明
资金保障
专业采购外包团队在线服务
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现货库存
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产品应用
- Entrectinib, also known as RXDX-101 and NMS-E628, is an oral small molecule inhibitor of TrkA, TrkB and TrkC, as well as ROS1 and ALK, with high potency and selectivity. RXDX-101 has demonstrated potent pharmacological activity in preclinical studies and has the potential to be first-in-class against the Trk family of kinases. PXDX-101 has been well tolerated in patients with advanced solid tumors. PXDX-101 is currently in clinical trials, and is being developed by Ignyta.
