Fenebrutinib

Fenebrutinib is an inhibitor of Bruton's tyrosine kinase (BTK, Kis = 0.91, 1.6, 1.3, 12.6, and 3.4 nM for wild-type BTK, BTKC481S, BTKC481R, BTKT474I, and BTKT474M, respectively). It is selective for BTK over a panel of 287 additional kinases at 1 µM. Fenebrutinib inhibits anti-IgM antibody-induced BTK phosphorylation in B cells (IC50 = 3.1 nM), as well as anti-IgM- or CD40L-induced proliferation of B cells (IC50s = 1.2 and 1.4 nM, respectively). In vivo, Fenebrutinib (0.06-16 mg/kg) reduces ankle thickness and cartilage damage in a rat model of collagen-induced arthritis.Formal Name: 2-[1,6-dihydro-3'-(hydroxymethyl)-1-methyl-5-[[5-[(2S)-2-methyl-4-(3-oxetanyl)-1-piperazinyl]-2-pyridinyl]amino]-6-oxo[3,4'-bipyridin]-2'-yl]-3,4,7,8-tetrahydro-7,7-dimethyl-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one. CAS Number: 1434048-34-6. Synonyms: GDC-0853, RG-7845. Molecular Formula: C37H44N8O4. Formula Weight: 664.8. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 20 mg/ml, DMSO: 20 mg/ml, DMSO:PBS (pH 7.2) (1:2): 0.33 mg/ml, Ethanol: 5 mg/ml. lambdamax: 245, 315 nm. SMILES: O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC(N=C6)=CC=C6N7CCN(C8COC8)C[C@@H]7C. InChi Code: 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)/t2. InChi Key: WNEODWDFDXWOLU-QHCPKHFHSA-N.