Chem
J-GLOBAL ID：200907029726110725   Nikkaji number：J2.623.777G

ABT-263

ABT-263
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C47H55ClF3N5O6S3
Molecular formula furigana： C47-H55-CL-F3-N5-O6-S3
Molecular weight： 974.610
InChI： 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
InChI key： JLYAXFNOILIKPP-KXQOOQHDSA-N
SMILES： CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1
Systematic name  (4)：
  • N-[3-(トリフルオロメチルスルホニル)-4-[[(R)-1-(フェニルチオメチル)-3-モルホリノプロピル]アミノ]フェニルスルホニル]-4-[4-[2-(4-クロロフェニル)-5,5-ジメチル-1-シクロヘキセニルメチル]ピペラジノ]ベンズアミド
  • 4-[4-[[2-(4-クロロフェニル)-5,5-ジメチル-1-シクロヘキセニル]メチル]ピペラジノ]-N-[[4-[[(1R)-3-モルホリノ-1-[(フェニルチオ)メチル]プロピル]アミノ]-3-[(トリフルオロメチル)スルホニル]フェニル]スルホニル]ベンズアミド
  • 4-(4-{[2-(4-クロロフェニル)-5,5-ジメチルシクロヘキサ-1-エン-1-イル]メチル}ピペラジン-1-イル)-N-(4-{[(2R)-4-(モルホリン-4-イル)-1-(フェニルスルファニル)ブタン-2-イル]アミノ}-3-トリフルオロメタンスルホニルベンゼンスルホニル)ベンズアミド
  • 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-trifluoromethanesulfonylbenzenesulfonyl)benzamide
Other name (5)：
  • N-[3-(Trifluoromethylsulfonyl)-4-[[(R)-1-(phenylthiomethyl)-3-morpholinopropyl]amino]phenylsulfonyl]-4-[4-[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexenylmethyl]piperazino]benzamide
  • ABT-263
  • 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]piperazino]-N-[[4-[[(1R)-3-morpholino-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]benzamide
  • ナビトクラックス
  • Navitoclax
CAS registry number： 923564-51-6
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