4-[6-甲氧基-7-(3-哌啶-1-基丙氧基)喹唑啉-4-基]-N-(4-异丙基氧苯基)哌嗪-1-甲酰胺

CAS号
387867-13-2
CCD编号
CCD00898903
分子式
C31 H42 N6 O4
分子量
562.711

基本信息

产品名称: 4-[6-甲氧基-7-(3-哌啶-1-基丙氧基)喹唑啉-4-基]-N-(4-异丙基氧苯基)哌嗪-1-甲酰胺
CAS: 387867-13-2
中文同义词: 坦度替尼 ; 4-[6-甲氧基-7-(3-哌啶-1-基丙氧基)喹唑啉-4-基]-N-(4-异丙基氧苯基)哌嗪-1-甲酰胺
英文同义词: TANDUTINIB ; N-(4-ISOPROPOXYPHENYL)-4-[6-METHOXY-7-[3-(1-PIPERIDINYL)PROPOXY]-4-QUINAZOLINYL]-1-PIPERAZINECARBOXAMIDE ; MLN518 ; 4-[7-(3-PIPERIDIN-1-YL-PROPOXY)-QUINAZOLIN-4-YL]-PIPERAZINE-1-CARBOXYLIC ACID (4-ISOPROPOXY-PHENYL)-AMIDE ; TANDUTINIB (MLN518) ; 4-[6-METHOXY-7-(3-PIPERIDIN-1-YLPROPOXY)QUINAZOLIN-4-YL]-N-(4-PROPAN-2-YLOXYPHENYL)PIPERAZINE-1-CARBOXAMIDE ; 1-PIPERAZINECARBOXAMIDE, 4-[6-METHOXY-7-[3-(1-PIPERIDINYL)PROPOXY]-4-QUINAZOLINYL]-N-[4-(1-METHYLETHOXY)PHENYL]- ; N-(4-ISOPROPOXYPHENYL)-4-(6-METHOXY-7-(3-(PIPERIDIN-1-YL)PROPOXY)QUINAZOLIN-4-YL)PIPERAZINE-1-CARBOXAMIDE ; 4-[6-METHOXY-7-[3-(1-PIPERIDINYL)PROPOXY]-4-QUINAZOLINYL]-N-[4-(1-METHYLETHOXY)PHENYL]-1-PIPERAZINECARBOXAMIDE
MDL号: MFCD09954147
氢键受体数量: 10
氢键供体数量: 1
Smile: CC(C)Oc1ccc(cc1)NC(=O)N2CCN(CC2)c3c4cc(c(cc4ncn3)OCCCN5CCCCC5)OC
InChi: InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)
InChiKey: InChIKey=UXXQOJXBIDBUAC-UHFFFAOYSA-N

性质

熔点: 177-178 DEG C
注解: TSCA: N
UNSPSC: 12000000

安全信息

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