Chem
J-GLOBAL ID：200907032462795350   Nikkaji number：J2.740.060D

Tofacitinib

トファシチニブ
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： C16H20N6O
Molecular formula furigana： C16-H20-N6-O
Molecular weight： 312.377
InChI： InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
InChI key： UJLAWZDWDVHWOW-YPMHNXCESA-N
SMILES： C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Systematic name  (8)：
  • 3-[3α-[メチル(7H-ピロロ[2,3-d]ピリミジン-4-イル)アミノ]-4α-メチルピペリジノ]-3-オキソプロピオニトリル
  • (3R,4R)-4-メチル-3-[メチル(7H-ピロロ[2,3-d]ピリミジン-4-イル)アミノ]-β-オキソ-1-ピペリジンプロパンニトリル
  • (3R,4R)-1-(シアノアセチル)-4,N-ジメチル-N-(1H-ピロロ[2,3-d]ピリミジン-4-イル)-3-ピペリジンアミン
  • 3-[(3R,4R)-4-メチル-3-[N-メチル(7H-ピロロ[2,3-d]ピリミジン-4-イル)アミノ]ピペリジン-1-イル]-3-オキソプロパンニトリル
  • N-メチル-N-[(3R)-1-(シアノアセチル)-4α-メチルピペリジン-3α-イル]-7H-ピロロ[2,3-d]ピリミジン-4-アミン
Show all
Other name (15)：
  • 3-[3α-[Methyl(7H-pyrrolo[2,3-d]pyrimidine-4-yl)amino]-4α-methylpiperidino]-3-oxopropionitrile
  • (3R,4R)-4-Methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidine-4-yl)amino]-β-oxo-1-piperidinepropanenitrile
  • タソシチニブ
  • Tasocitinib
  • (3R,4R)-1-(Cyanoacetyl)-4,N-dimethyl-N-(1H-pyrrolo[2,3-d]pyrimidine-4-yl)-3-piperidineamine
Show all
CAS registry number： 477600-75-2
Application (4)：
molecular targeting drug ,  antirheumatic drug ,  ulcerative colitis ,  gastrointestinal drug
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM