ONO-4059 (hydrochloride)

ONO-4059 is an inhibitor of Bruton's tyrosine kinase (BTK, IC50 = 2.2 nM). It is selective for BTK over LCK, LYN, and Fyn at 1 µM. ONO-4059 inhibits B cell proliferation and activation in vitro and reduces tumor growth in a TMD8 mouse xenograft model.Formal Name: 6-amino-7,9-dihydro-9-[(3R)-1-(1-oxo-2-butyn-1-yl)-3-pyrrolidinyl]-7-(4-phenoxyphenyl)-8H-purin-8-one, monohydrochloride. CAS Number: 1439901-97-9. Synonyms: GS-4059, ONO-WG-307. Molecular Formula: C25H22N6O3 . HCl. Formula Weight: 490.9. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 1 mg/ml, DMSO: 1 mg/ml, DMSO:PBS (pH 7.2) (1:3): 0.25 mg/ml. lambdamax: 215 nm. SMILES: NC1=C2C(N([C@@]3([H])CN(CC3)C(C#CC)=O)C(N2C4=CC=C(C=C4)OC5=CC=CC=C5)=O)=NC=N1.Cl. InChi Code: InChI=1S/C25H22N6O3.ClH/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),1H/t18-,/m1./s1. InChi Key: UQYDCIJFACDXSG-GMUIIQOCSA-N.