Chem
J-GLOBAL ID：201707009269735988   Nikkaji number：J3.623.000B

dinaciclib

ジナシクリブ
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： C21H28N5[N+]O[O-]
Molecular formula furigana： C21-H28-N6-O2
Molecular weight： 396.495
InChI： InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
InChI key： PIMQWRZWLQKKBJ-SFHVURJKSA-N
SMILES： CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Systematic name  (3)：
  • 3-[[[3-エチル-5-[(2S)-2-(2-ヒドロキシエチル)ピペリジン-1-イル]ピラゾロ[1,5-a]ピリミジン-7-イル]アミノ]メチル]ピリジン1-オキシド
  • 3-[({3-エチル-5-[(2S)-2-(2-ヒドロキシエチル)ピペリジン-1-イル]ピラゾロ[1,5-a]ピリミジン-7-イル}アミノ)メチル]ピリジン-1-イウム-1-オラート
  • 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]pyridin-1-ium-1-olate
Other name (3)：
  • 3-[[[3-Ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidine-1-yl]pyrazolo[1,5-a]pyrimidine-7-yl]amino]methyl]pyridine 1-oxide
  • ジナシクリブ
  • dinaciclib
CAS registry number： 779353-01-4
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