Chem
J-GLOBAL ID：200907056872401151   Nikkaji number：J2.688.659G

Neratinib

ネラチニブ
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： C30H29ClN6O3
Molecular formula furigana： C30-H29-CL-N6-O3
Molecular weight： 557.050
InChI： InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
InChI key： JWNPDZNEKVCWMY-VQHVLOKHSA-N
SMILES： CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
Systematic name  (4)：
  • (E)-N-[4-[[3-クロロ-4-(2-ピリジニルメトキシ)フェニル]アミノ]-3-シアノ-7-エトキシ-6-キノリニル]-4-(ジメチルアミノ)-2-ブテンアミド
  • (E)-N-[3-シアノ-4-[[4-(2-ピリジルメトキシ)-3-クロロフェニル]アミノ]-7-エトキシキノリン-6-イル]-4-(ジメチルアミノ)-2-ブテンアミド
  • (2E)-N-[4-({3-クロロ-4-[(ピリジン-2-イル)メトキシ]フェニル}アミノ)-3-シアノ-7-エトキシキノリン-6-イル]-4-(ジメチルアミノ)ブタ-2-エンアミド
  • (2E)-N-[4-({3-chloro-4-[(pyridin-2-yl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Other name (5)：
  • (E)-N-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-buteneamide
  • ネラチニブ
  • HKI-272
  • Neratinib
  • (E)-N-[3-Cyano-4-[[4-(2-pyridylmethoxy)-3-chlorophenyl]amino]-7-ethoxyquinoline-6-yl]-4-(dimethylamino)-2-buteneamide
CAS registry number： 698387-09-6
KEGG DRUG： D08950
Application (1)：
enzyme inhibitor
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