Chem
J-GLOBAL ID：201507001805753808   Nikkaji number：J3.401.317I

Entrectinib

エヌトレクチニブ
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： C31H34F2N6O2
Molecular formula furigana： C31-H34-F2-N6-O2
Molecular weight： 560.650
InChI： InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
InChI key： HAYYBYPASCDWEQ-UHFFFAOYSA-N
SMILES： CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Systematic name  (4)：
  • N-[5-(3,5-ジフルオロベンジル)-1H-インダゾール-3-イル]-2-[(テトラヒドロ-2H-ピラン-4-イル)アミノ]-4-(4-メチルピペラジノ)ベンズアミド
  • N-[5-(3,5-ジフルオロベンジル)-1H-インダゾール-3-イル]-2-(テトラヒドロ-2H-ピラン-4-イルアミノ)-4-(4-メチルピペラジン-1-イル)ベンズアミド
  • N-{5-[(3,5-ジフルオロフェニル)メチル]-1H-インダゾール-3-イル}-4-(4-メチルピペラジン-1-イル)-2-[(オキサン-4-イル)アミノ]ベンズアミド
  • N-{5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl}-4-(4-methylpiperazin-1-yl)-2-[(oxan-4-yl)amino]benzamide
Other name (6)：
  • N-[5-(3,5-Difluorobenzyl)-1H-indazole-3-yl]-2-[(tetrahydro-2H-pyran-4-yl)amino]-4-(4-methylpiperazino)benzamide
  • NMS-E-628
  • N-[5-(3,5-Difluorobenzyl)-1H-indazole-3-yl]-2-(tetrahydro-2H-pyran-4-ylamino)-4-(4-methylpiperazine-1-yl)benzamide
  • エントレクチニブ
  • Entrectinib
Show all
Application (3)：
antitumor drug ,  molecular targeting drug ,  tyrosine kinase
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