(+)-JQ1 (free acid)

(+)-JQ1 (free acid) is an inhibitor of bromodomain and extra terminal domain (BET) family proteins (Kds = 128, 59.5, 49.0, and 190 nM for JQ1 binding to bromodomains of BRD2, BRD3, BRD4, and BRDT, respectively), blocking their interaction with acetylated histones. Enantiomerically pure (+)-JQ1 (Cay-11187) binds to BRD4 bromodomains 1 and 2 with Kd values of ~50 and 90 nM, respectively, whereas the (-)-JQ1 (Cay-11232) stereoisomer has no appreciable affinity to BET bromodomains. JQ1 has been used as a chemical probe to investigate the role of BET bromodomains in the transcriptional regulation of oncogenesis. See the Structural Genomics Consortium (SGC) website for more information.Formal Name: (6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid. CAS Number: 202592-23-2. Molecular Formula: C19H17ClN4O2S. Formula Weight: 400.9. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 20 mg/ml, DMSO: 25 mg/ml, DMSO:PBS(pH 7.2) (1:4): 0.20 mg/ml, Ethanol: 15 mg/ml. lambdamax: 254 nm. SMILES: CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H]3CC(O)=O)=C(S1)N4C3=NN=C4C. InChi Code: InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1. InChi Key: LJOSBOOJFIRCSO-AWEZNQCLSA-N.