Chem
J-GLOBAL ID：201407019209916285   Nikkaji number：J3.307.988E

Abemaciclib

アベマシクリブ
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： C27H32F2N8
Molecular formula furigana： C27-H32-F2-N8
Molecular weight： 506.606
InChI： InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
InChI key： UZWDCWONPYILKI-UHFFFAOYSA-N
SMILES： CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Systematic name  (4)：
  • 6-[2-[[5-(4-エチルピペラジン-1-イルメチル)ピリジン-2-イル]アミノ]-5-フルオロピリミジン-4-イル]-1-イソプロピル-2-メチル-4-フルオロ-1H-ベンゾイミダゾール
  • N-[5-[(4-エチル-1-ピペラジニル)メチル]-2-ピリジル]-5-フルオロ-4-(4-フルオロ-1-イソプロピル-2-メチル-1H-ベンゾイミダゾール-6-イル)ピリミジン-2-アミン
  • N-{5-[(4-エチルピペラジン-1-イル)メチル]ピリジン-2-イル}-5-フルオロ-4-[4-フルオロ-2-メチル-1-(プロパン-2-イル)-1H-1,3-ベンゾジアゾール-6-イル]ピリミジン-2-アミン
  • N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzodiazol-6-yl]pyrimidin-2-amine
Other name (8)：
  • 6-[2-[[5-(4-Ethylpiperazine-1-ylmethyl)pyridine-2-yl]amino]-5-fluoropyrimidine-4-yl]-1-isopropyl-2-methyl-4-fluoro-1H-benzoimidazole
  • N-[5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridyl]-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzoimidazole-6-yl)pyrimidine-2-amine
  • LY-2835219
  • アベマシクリブ
  • Abemaciclib
Show all
CAS registry number： 1231929-97-7
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