dBET1

dBET1 is a hybrid molecule that combines (+)-JQ1 (Cay-11187) and thalidomide (Cay-14610). The JQ1 portion facilitates binding of dBET1 to the bromodomains of BET family transcriptional activators. The thalidomide moiety drives proteasomal degradation, as phthalimides bind cereblon to create a substrate recognition site for E3 protein ligase complex-mediated ubiquitination. dBET1 induces cereblon-dependent BET protein degradation in vitro (EC50 = 430 nM) and in vivo and delays leukemia progression in mice.Formal Name: (6S)-4-(4-chlorophenyl)-N-[4-[[2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetyl]amino]butyl]-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide. CAS Number: 1799711-21-9. Molecular Formula: C38H37ClN8O7S. Formula Weight: 785.3. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 25 mg/ml, DMSO: 25 mg/ml, DMSO:PBS (pH 7.2)(1:5): 0.16 mg/ml, Ethanol: 5 mg/ml. lambdamax: 218, 254, 323 nm. SMILES: CC1=NN=C2[C@H](CC(NCCCCNC(COC3=CC=CC(C(N4C5C(NC(CC5)=O)=O)=O)=C3C4=O)=O)=O)N=C(C6=CC=C(Cl)C=C6)C7=C(SC(C)=C7C)N21. InChi Code: InChI=1S/C38H37ClN8O7S/c1-19-20(2)55-38-31(19)33(22-9-11-23(39)12-10-22)42-25(34-45-44-21(3)46(34)38)17-29(49)40-15-4-5-16-41-30(50)18-54-27-8-6-7-24-32(27)37(53)47(36(24)52)26-13-14-28(48)43-35(26)51/h6-12,25-26H,4-5,13-18H2,1-3H3,(H,40,49)(H,41,50). InChi Key: LKEGXJXRNBALBV-PMCHYTPCSA-N. License: Sold under license from Dana-Farber Cancer Institute, Inc..