Docirbrutinib

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Pharmaceutical compound

Docirbrutinib
Clinical data

Other names	AS-1763
Identifiers
IUPAC name 2-[3-[2-amino-6-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one;methanesulfonic acid
CAS Number	2659241-06-0
PubChem CID	171390006
ChemSpider	129431709
UNII	3J6FQ6W4NQ
KEGG	D13143
Chemical and physical data
Formula	C₃₅H₃₉FN₆O₉S₂
Molar mass	770.85g·mol⁻¹
3D model (JSmol)	Interactive image
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;21-5(2,3)4/h1-3,6,8,11-14,18,22,41H,4-5,7,9-10,15-17H2,(H3,35,36,37,38);21H3,(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.^[1]

References

↑ 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.