Chem
J-GLOBAL ID：201607002144958975   Nikkaji number：J3.516.625D

Venetoclax

ベネトクラックス
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： C45H50ClN6[N+]O6[O-]S
Molecular formula furigana： C45-H50-CL-N7-O7-S
Molecular weight： 868.450
InChI： InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
InChI key： LQBVNQSMGBZMKD-UHFFFAOYSA-N
SMILES： CC1(C)CCC(=C(C1)c1ccc(Cl)cc1)CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+](=O)[O-])c(Oc2cnc3[nH]ccc3c2)c1
Systematic name  (3)：
  • 4-[4-[[2-(4-クロロフェニル)-4,4-ジメチル-1-シクロヘキセニル]メチル]-1-ピペラジニル]-N-[[3-ニトロ-4-[(テトラヒドロ-2H-ピラン-4-イル)メチルアミノ]フェニル]スルホニル]-2-(1H-ピロロ[2,3-b]ピリジン-5-イルオキシ)ベンズアミド
  • 4-(4-{[2-(4-クロロフェニル)-4,4-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-(3-ニトロ-4-{[(オキサン-4-イル)メチル]アミノ}ベンゼンスルホニル)-2-{1H-ピロロ[2,3-b]ピリジン-5-イルオキシ}ベンズアミド
  • 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzenesulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
Other name (5)：
  • 4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[(tetrahydro-2H-pyran-4-yl)methylamino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridine-5-yloxy)benzamide
  • ベネトクラックス
  • Venetoclax
  • ベネトクラクス
  • ABT-199
Application (1)：
antitumor drug
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