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

1108743-60-7
SMILES: CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1

化学属性

Mol. Weight560.64
Appearance Solid powder
SolubilitySoluble in DMSO, not in water

别名和识别编码

Chemical NameN-(5-(3,5-Difluorobenzyl)-1H-Indazol-3-Yl)-4-(4-Methylpiperazin-1-Yl)-2-((Tetrahydro-2H-Pyran-4-Yl)Amino)Benzamide
Chemical Name TranslationN-(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 ID25141092
InChIInChI=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
FormulaC31H34F2N6O2
IUPAC NameN-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-((tetrahydro-2H-pyran-4-yl)amino)benzamide
InChIKeyHAYYBYPASCDWEQ-UHFFFAOYSA-N
Canonical SMILESO=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   
品牌质保精细包装    现货库存    一流品牌服务   

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.

安全信息

Storage condition Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

系列性分类


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