Chem
J-GLOBAL ID:201607011280150689   Nikkaji number:J3.535.991E

AZD6738

セララセルチブ
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: C20H24N6O2S
Molecular formula furigana: C20-H24-N6-O2-S
Molecular weight: 412.510
InChI: InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29?/m1/s1
InChI key: OHUHVTCQTUDPIJ-RNHBAAACSA-N
SMILES: C[C@@H]1COCCN1c1cc(nc(n1)c1ccnc2[nH]ccc12)C1(CC1)S(=N)(=O)C
Systematic name  (3):
  • 4-[4-[(3R)-3-メチルモルホリン-4-イル]-6-[1-(S-メチルスルホンイミドイル)シクロプロピル]ピリミジン-2-イル]-1H-ピロロ[2,3-b]ピリジン
  • イミノ(メチル)(1-{6-[(3R)-3-メチルモルホリン-4-イル]-2-{1H-ピロロ[2,3-b]ピリジン-4-イル}ピリミジン-4-イル}シクロプロピル)-λ6-スルファノン
  • imino(methyl)(1-{6-[(3R)-3-methylmorpholin-4-yl]-2-{1H-pyrrolo[2,3-b]pyridin-4-yl}pyrimidin-4-yl}cyclopropyl)-λ6-sulfanone
Other name (5):
  • 4-[4-[(3R)-3-Methylmorpholine-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidine-2-yl]-1H-pyrrolo[2,3-b]pyridine
  • AZD-6738
  • セララセルチブ
  • Ceralasertib
  • AZD6738
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