Chem
J-GLOBAL ID:201907002055798044   Nikkaji number:J3.736.783D

LOXO-292

セルペルカチニブ
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: C29H31N7O3
Molecular formula furigana: C29-H31-N7-O3
Molecular weight: 525.613
InChI: InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3
InChI key: XIIOFHFUYBLOLW-UHFFFAOYSA-N
SMILES: c1(cc(cn2ncc(c12)C#N)OCC(C)(C)O)c1cnc(cc1)N1CC2CC(C1)N2Cc1cnc(cc1)OC
Systematic name  (3):
  • 6-(2-ヒドロキシ-2-メチルプロポキシ)-4-[6-[6-(6-メトキシ-3-ピリジルメチル)-3,6-ジアザビシクロ[3.1.1]ヘプタン-3-イル]-3-ピリジル]ピラゾロ[1,5-a]ピリジン-3-カルボニトリル
  • 6-(2-ヒドロキシ-2-メチルプロポキシ)-4-(6-{6-[(6-メトキシピリジン-3-イル)メチル]-3,6-ジアザビシクロ[3.1.1]ヘプタン-3-イル}ピリジン-3-イル)ピラゾロ[1,5-a]ピリジン-3-カルボニトリル
  • 6-(2-hydroxy-2-methylpropoxy)-4-(6-{6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl}pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
Other name (3):
  • LOXO-292
  • セルペルカチニブ
  • Selpercatinib
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