Chem
J-GLOBAL ID：201707014012187134   Nikkaji number：J3.531.685J

Tirabrutinib

チラブルチニブ
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： C25H24N6O3
Molecular formula furigana： C25-H24-N6-O3
Molecular weight： 456.506
InChI： InChI=1S/C25H24N6O3/c1-2-21(32)29-14-6-7-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-10-12-20(13-11-17)34-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
InChI key： KSUDUUBCXJUFRL-SFHVURJKSA-N
SMILES： Nc1ncnc2n([C@H]3CCCN(C3)C(=O)C=C)c(=O)n(c3ccc(Oc4ccccc4)cc3)c12
Systematic name  (3)：
  • 6-アミノ-7-(4-フェノキシフェニル)-9-[(3S)-1-プロペノイルピペリジン-3-イル]-7H-プリン-8(9H)-オン
  • 6-アミノ-7-(4-フェノキシフェニル)-9-[(3S)-1-(プロパ-2-エノイル)ピペリジン-3-イル]-8,9-ジヒドロ-7H-プリン-8-オン
  • 6-amino-7-(4-phenoxyphenyl)-9-[(3S)-1-(prop-2-enoyl)piperidin-3-yl]-8,9-dihydro-7H-purin-8-one
Other name (6)：
  • 6-Amino-7-(4-phenoxyphenyl)-9-[(3S)-1-propenoylpiperidine-3-yl]-7H-purine-8(9H)-one
  • ONO/GS-4059
  • ONO-4059
  • GS-4059
  • チラブルチニブ
Show all
CAS registry number： 1351635-67-0
Application (2)：
antitumor drug ,  tyrosine kinase
Thsaurus map：
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