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Substance Name: Tirabrutinib
RN: 1351636-18-4
UNII: LXG44NDL2T
InChIKey: SEJLPXCPMNSRAM-GOSISDBHSA-N

Note

  • A Bruton tyrosine kinase with antineoplastic activity; in phase I clinical trials (2016).

Molecular Formula

  • C25-H22-N6-O3

Molecular Weight

  • 454.4878
 
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Names and Synonyms

Name of Substance

  • Tirabrutinib

Synonyms

  • 6-Amino-9-((3R)-1-(2-butynoyl)-3-pyrrolidinyl)-7-(4-phenoxyphenyl)-7,9-dihydro-8H-purin-8-one
  • 8H-Purin-8-one,6-amino-7,9-dihydro-9-((3R)-1-(1-oxo-2-butyn-1-yl)-3-pyrrolidinyl)-7-(4-phenoxyphenyl)
  • GS-4059
  • ONO-4059
  • ONO-4059(Free base)
  • Tirabrutinib
  • Tirabrutinib [INN]
  • UNII-LXG44NDL2T

Registry Numbers

CAS Registry Number

  • 1351636-18-4

FDA UNII

  • LXG44NDL2T

System Generated Number

  • 1351636184

Structure Descriptors

InChI

1S/C25H22N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28)/t18-/m1/s1

InChIKey

SEJLPXCPMNSRAM-GOSISDBHSA-N

Smiles

CC#CC(=O)N1CC[C@H](C1)N2C(=O)N(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25