TOZASERTIB ,1010423-95-6 _化学云数据库

TOZASERTIB

基本信息
产品名称：	TOZASERTIB
CAS：	1010423-95-6 ;936915-58-1 ;639089-54-6
英文同义词：	N-[4-[[4-(4-METHYL-1-PIPERAZINYL)-6-[(5-METHYL-1H-PYRAZOL-3-YL)AMINO]-2-PYRIMIDINYL]THIO]PHENYL]CYCLOPROPANECARBOXAMIDE ; CYCLOPROPANECARBOXYLIC ACID [4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-1H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL]-AMIDE ; VX6 ; CYCLOPROPANECARBOXAMIDE, N-[4-[[4-(4-METHYL-1-PIPERAZINYL)-6-[(5-METHYL-1H-PYRAZOL-3-YL)AMINO]-2-PYRIMIDINYL]THIO]PHENYL]- ; N-(4-((4-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)-6-(4-METHYLPIPERAZIN-1-YL)PYRIMIDIN-2-YL)THIO)PHENYL)CYCLOPROPANECARBOXAMIDE ; TOZASERTIB/VX-680 ; N-？[4-？[[4-？(4-？METHYL-？1-？PIPERAZINYL)-？6-？[(5-？METHYL-？1H-？PYRAZOL-？3-？YL)AMINO]-？2-？PYRIMIDINYL]THIO]PHENYL]-？CYCLOPROPANECARBOXAMIDE ; VX-680 ; TOZASERTIB ; VX-680 (TOZASERTIB, MK-0457)
MDL号：	MFCD13185152
氢键受体数量：	9
氢键供体数量：	3
Smile：	Cc1cc(n[nH]1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C
InChi：	InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
InChiKey：	InChIKey=GCIKSSRWRFVXBI-UHFFFAOYSA-N
性质
熔点：	245-260 DEG C
注解：	HAZARD: R 61 HAZARD: S 22-24/25-36 TSCA: N UNSPSC: 12000000
安全信息

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