Chem
J-GLOBAL ID：200907016300903952   Nikkaji number：J1.690.778B

N-Desmethylimatinib

N-デスメチルイマチニブ
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： C28H29N7O
Molecular formula furigana： C28-H29-N7-O
Molecular weight： 479.588
InChI： InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)
InChI key： BQQYXPHRXIZMDM-UHFFFAOYSA-N
SMILES： Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(n1)c1cccnc1
Systematic name  (7)：
  • N-[3-[[4-(3-ピリジニル)ピリミジン-2-イル]アミノ]-4-メチルフェニル]-4-[(ピペラジン-1-イル)メチル]ベンズアミド
  • N-[4-メチル-3-[4-(3-ピリジル)-2-ピリミジニルアミノ]フェニル]-4-(ピペラジノメチル)ベンズアミド
  • 4-(ピペラジノメチル)-N-[4-メチル-3-[4-(3-ピリジル)ピリミジン-2-イルアミノ]フェニル]ベンズアミド
  • N-[3-[4-(3-ピリジニル)ピリミジン-2-イルアミノ]-4-メチルフェニル]-4-(ピペラジノメチル)ベンズアミド
  • N-[3-[4-(3-ピリジニル)-2-ピリミジニルアミノ]-4-メチルフェニル]-4-(ピペラジノメチル)ベンズアミド
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Other name (10)：
  • N-[3-[[4-(3-Pyridinyl)pyrimidine-2-yl]amino]-4-methylphenyl]-4-[(piperazine-1-yl)methyl]benzamide
  • CGP-74588
  • N-[4-Methyl-3-[4-(3-pyridyl)-2-pyrimidinylamino]phenyl]-4-(piperazinomethyl)benzamide
  • N-デスメチル-STI
  • 4-(Piperazinomethyl)-N-[4-methyl-3-[4-(3-pyridyl)pyrimidine-2-ylamino]phenyl]benzamide
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Application (3)：
antitumor drug ,  molecular targeting drug ,  active metabolite
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