Chem
J-GLOBAL ID：201407085979536122   Nikkaji number：J3.306.555H

TAK-441

TAK-441
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： C28H31F3N4O6
Molecular formula furigana： C28-H31-F3-N4-O6
Molecular weight： 576.573
InChI： InChI=1S/C28H31F3N4O6/c1-3-19-13-20-23(27(40)35(19)14-21(37)17-7-5-4-6-8-17)25(41-16-28(29,30)31)24(33(20)2)26(39)32-18-9-11-34(12-10-18)22(38)15-36/h4-8,13,18,36H,3,9-12,14-16H2,1-2H3,(H,32,39)
InChI key： ZADWXQMNNVICKB-UHFFFAOYSA-N
SMILES： CCc1cc2n(C)c(C(=O)NC3CCN(CC3)C(=O)CO)c(OCC(F)(F)F)c2c(=O)n1CC(=O)c1ccccc1
Systematic name  (4)：
  • 6-エチル-3-(2,2,2-トリフルオロエトキシ)-2-[[1-(ヒドロキシアセチル)-4-ピペリジニル]カルバモイル]-1-メチル-5-(β-オキソフェネチル)-1H-ピロロ[3,2-c]ピリジン-4(5H)-オン
  • 6-エチル-N-[1-(2-ヒドロキシアセチル)ピペリジン-4-イル]-1-メチル-4-オキソ-5-フェナシル-3-(2,2,2-トリフルオロエトキシ)-1H-ピロロ[3,2-c]ピリジン-2-カルボアミド
  • 6-エチル-N-[1-(2-ヒドロキシアセチル)ピペリジン-4-イル]-1-メチル-4-オキソ-5-(2-オキソ-2-フェニルエチル)-3-(2,2,2-トリフルオロエトキシ)-1H,4H,5H-ピロロ[3,2-c]ピリジン-2-カルボキサミド
  • 6-ethyl-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-(2-oxo-2-phenylethyl)-3-(2,2,2-trifluoroethoxy)-1H,4H,5H-pyrrolo[3,2-c]pyridine-2-carboxamide
Other name (3)：
  • 6-Ethyl-3-(2,2,2-trifluoroethoxy)-2-[[1-(hydroxyacetyl)-4-piperidinyl]carbamoyl]-1-methyl-5-(β-oxophenethyl)-1H-pyrrolo[3,2-c]pyridine-4(5H)-one
  • TAK-441
  • 6-Ethyl-N-[1-(2-hydroxyacetyl)piperidine-4-yl]-1-methyl-4-oxo-5-phenacyl-3-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CAS registry number： 1186231-83-3
Application (1)：
antitumor drug
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