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生根粉263 | 923564-51-6

生根粉263
Navitoclax
923564-51-6
C47H55ClF3N5O6S3
974.612717866898
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:生根粉263结构式
生根粉263价格
简介
Navitoclax (ABT-263) 是一种口服有效的 Bcl-2 抑制剂,可与 Bcl-xL,Bcl-2,Bcl-w 等多种 Bcl-2 家族蛋白结合,Ki 值小于 1 nM。
名称和标识符
MDL MFCD12756219
InChIKey JLYAXFNOILIKPP-KXQOOQHDSA-N
Inchi 1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1
SMILES C(N1CCN(C2C=CC(C(=O)NS(C3C=CC(N[C@@H](CSC4C=CC=CC=4)CCN4CCOCC4)=C(S(=O)(=O)C(F)(F)F)C=3)(=O)=O)=CC=2)CC1)C1CC(C)(C)CCC=1C1C=CC(Cl)=CC=1
别名信息
- 中文别名 -
  • 生根粉263
  • ABT-263 (Navitoclax) 抑制剂
  • N-[2-[(1S,4R)-6-[[4-(环丁基氨基)-5-(三氟甲基)-2-嘧啶]氨基]-1,2,3,4-四氢萘-1,4-脒-9-基]-2-氧代乙基]乙酰胺
  • (R)-4-(4-((4'-氯-4,4-二甲基-3,4,5,6-四氢-[1,1'-联苯]-2-基)甲基)哌嗪-1-基)-N-((4-((4-吗啉-1-(苯硫基)-2-丁基)氨基)-3-((三氟甲基)磺酰基)苯基)磺酰基)苯甲酰胺
- 英文别名 -
  • ABT 263
  • 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide
  • Navitoclax
  • ABT-263
  • (R)-4-(4-((2-(4-Chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)p
  • (S)-4-(4-((4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-morpholino-1-(phenylthio)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benza
  • ABT-263 (NAVITOCLAX)
  • Benzamide, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[...
  • Navitoclax (ABT-263,ABT 263)
  • SLK-14-09-S1001
  • (R)-4-(4-((4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-morpholino-1-(phenylthio)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benzamide
  • ABT263
  • XKJ5VVK2WD
  • C47H55ClF3N5O6S3
  • 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(4-morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]benzamide
  • 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({4-({(1R)-3-morpholin-4-yl-1-[(phenylsulfanyl)methyl]propyl
  • 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(4-morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]benzamide (ACI)
  • A 855071.0
  • Navitoclax(ABT-263)
物化性质
实验特性
LogP 11.39950
PSA 170.42000
熔点 114-116°C
计算特性
精确分子量 973.29600
氢键供体数量 2
氢键受体数量 14
可旋转化学键数量 16
重原子数量 65
复杂度 1800
拓扑分子极性表面积 170
海关数据
海关编码 29339900
相关文献
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