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Docirbrutinib

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Pharmaceutical compound
Docirbrutinib
Clinical data
Other namesAS-1763
Identifiers
IUPAC name
  • 2--7H-pyrrolopyrimidin-4-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one;methanesulfonic acid
CAS Number
PubChem CID
ChemSpider
UNII
Chemical and physical data
FormulaC35H39FN6O9S2
Molar mass770.85 g·mol
3D model (JSmol)
SMILES
  • CS(=O)(=O)O.CS(=O)(=O)O.C1CC1C2=CC(=C3C(=C2)C=CN(C3=O)C4=CC=CC(=C4CO)C5=C6C=C(NC6=NC(=N5)N)C7=CCN(CC7)C8COC8)F
InChI
  • InChI=InChI=1S/C33H31FN6O3.2CH4O3S/c34-26-13-21(18-4-5-18)12-20-8-11-40(32(42)29(20)26)28-3-1-2-23(25(28)15-41)30-24-14-27(36-31(24)38-33(35)37-30)19-6-9-39(10-7-19)22-16-43-17-22;2*1-5(2,3)4/h1-3,6,8,11-14,18,22,41H,4-5,7,9-10,15-17H2,(H3,35,36,37,38);2*1H3,(H,2,3,4)
  • Key:KMLXYMRUQMJKLA-UHFFFAOYSA-N

Docirbrutinib is an investigational new drug that is being evaluated for the treatment of cancer. It is a selective Bruton's tyrosine kinase (BTK) inhibitor that targets chronic lymphocytic leukemia (CLL) and other B-cell malignancies.

References

  1. Kawahata W, Asami T, Kiyoi T, Irie T, Kashimoto S, Furuichi H, et al. (October 2021). "Discovery of AS-1763: A Potent, Selective, Noncovalent, and Orally Available Inhibitor of Bruton's Tyrosine Kinase". Journal of Medicinal Chemistry. 64 (19): 14129–14141. doi:10.1021/acs.jmedchem.1c01279. PMID 34529443.


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