Chem
J-GLOBAL ID：201607002764807543   Nikkaji number：J3.535.050K

Ivosidenib

イボシデニブ
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： C28H22ClF3N6O3
Molecular formula furigana： C28-H22-CL-F3-N6-O3
Molecular weight： 582.970
InChI： InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25?/m0/s1
InChI key： WIJZXSAJMHAVGX-XADRRFQNSA-N
SMILES： Fc1cncc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Systematic name  (3)：
  • (2S)-N-[1-(2-クロロフェニル)-2-[(3,3-ジフルオロシクロブチル)アミノ]-2-オキソエチル]-1-(4-シアノピリジン-2-イル)-N-(5-フルオロピリジン-3-イル)-5-オキソピロリジン-2-カルボアミド
  • 2-(2-クロロフェニル)-2-{1-[(2S)-1-(4-シアノピリジン-2-イル)-5-オキソピロリジン-2-イル]-N-(5-フルオロピリジン-3-イル)ホルムアミド}-N-(3,3-ジフルオロシクロブチル)アセトアミド
  • 2-(2-chlorophenyl)-2-{1-[(2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidin-2-yl]-N-(5-fluoropyridin-3-yl)formamido}-N-(3,3-difluorocyclobutyl)acetamide
Other name (4)：
  • (2S)-N-[1-(2-Chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridine-2-yl)-N-(5-fluoropyridine-3-yl)-5-oxopyrrolidine-2-carboxamide
  • AG-120
  • イボシデニブ
  • Ivosidenib
CAS registry number： 1448346-63-1
Application (1)：
antitumor drug
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