Chem
J-GLOBAL ID：201207044269923213   Nikkaji number：J3.038.860G

Danusertib

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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： C26H30N6O3
Molecular formula furigana： C26-H30-N6-O3
Molecular weight： 474.565
InChI： InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
InChI key： XKFTZKGMDDZMJI-HSZRJFAPSA-N
SMILES： CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1
Systematic name  (4)：
  • 1,4,5,6-テトラヒドロ-3-[4-(4-メチルピペラジン-1-イル)ベンゾイルアミノ]-5-[(R)-2-メトキシ-2-フェニルアセチル]ピロロ[3,4-c]ピラゾール
  • N-[5-[(2R)-2-メトキシ-2-フェニルアセチル]-4,6-ジヒドロ-1H-ピロロ[3,4-c]ピラゾール-3-イル]-4-(4-メチルピペラジン-1-イル)ベンズアミド
  • N-{5-[(2R)-2-メトキシ-2-フェニルアセチル]-1H,4H,5H,6H-ピロロ[3,4-c]ピラゾール-3-イル}-4-(4-メチルピペラジン-1-イル)ベンズアミド
  • N-{5-[(2R)-2-methoxy-2-phenylacetyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide
Other name (4)：
  • 1,4,5,6-Tetrahydro-3-[4-(4-methylpiperazine-1-yl)benzoylamino]-5-[(R)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazole
  • ダヌセルチブ
  • Danusertib
  • N-[5-[(2R)-2-Methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CAS registry number： 827318-97-8
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