dBET1 - CAS 1799711-21-9

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dBET1 is a potent BRD4 protein degrader composed of a BET bromodomain inhibitor (+)-JQ1 and a sedative drug thalidomide. The (+)-JQ1 portion binds to the BET bromodomains, and the thalidomide binds to cereblon to form a cereblon E3 ubiquitin ligase complex, inducing cereblon-dependent BET protein degradation.

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Molecular Formula C38H37ClN8O7S
Molecular Weight 785.3

dBET1

Purity ≥98%
Synonyms (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
Storage -20°C
Shelf Life 2 years
InChI Key LKEGXJXRNBALBV-PMCHYTPCSA-N
InChI 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)(H,43,48,51)/t25-,26?/m0/s1
Canonical SMILES CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C

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