Chem
J-GLOBAL ID：201707014179049671   Nikkaji number：J3.615.209E

GDC-0853

フェネブルチニブ
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： C37H44N8O4
Molecular formula furigana： C37-H44-N8-O4
Molecular weight： 664.811
InChI： InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1
InChI key： WNEODWDFDXWOLU-QHCPKHFHSA-N
SMILES： C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1
Systematic name  (3)：
  • 2-[3′-ヒドロキシメチル-1-メチル-5-[[5-[(2S)-2-メチル-4-(オキセタン-3-イル)ピペラジン-1-イル]ピリジン-2-イル]アミノ]-6-オキソ-1,6-ジヒドロ-[3,4′-ビピリジン]-2′-イル]-7,7-ジメチル-3,4,7,8-テトラヒドロ-2H-シクロペンタ[4,5]ピロロ[1,2-a]ピラジン-1(6H)-オン
  • 10-[3'-(ヒドロキシメチル)-1-メチル-5-({5-[(2S)-2-メチル-4-(オキセタン-3-イル)ピペラジン-1-イル]ピリジン-2-イル}アミノ)-6-オキソ-1,6-ジヒドロ-[3,4'-ビピリジン]-2'-イル]-4,4-ジメチル-1,10-ジアザトリシクロ[6.4.0.02,6]ドデカ-2(6),7-ジエン-9-オン
  • 10-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
Other name (4)：
  • 2-[3′-Hydroxymethyl-1-methyl-5-[[5-[(2S)-2-methyl-4-(oxetane-3-yl)piperazine-1-yl]pyridine-2-yl]amino]-6-oxo-1,6-dihydro-[3,4′-bipyridine]-2′-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-1(6H)-one
  • GDC-0853
  • フェネブルチニブ
  • Fenebrutinib
CAS registry number： 1434048-34-6
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