WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 573487
CAS#: 1883863-52-2
Description: dBET57 is a novel BRD4 heterobifunctional small-molecule ligand (PROTAC) which exhibits significant and selective degradation of BRD4 BD1 but is inactive on BRD4 BD2.
MedKoo Cat#: 573487
Name: dBET57
CAS#: 1883863-52-2
Chemical Formula: C34H31ClN8O5S
Exact Mass: 698.1827
Molecular Weight: 699.18
Elemental Analysis: C, 58.41; H, 4.47; Cl, 5.07; N, 16.03; O, 11.44; S, 4.59
Synonym: dBET57; dBET-57; dBET 57;
IUPAC/Chemical Name: 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethyl)acetamide
InChi Key: CZRLOIDJCMKJHE-UXMRNZNESA-N
InChi Code: InChI=1S/C34H31ClN8O5S/c1-16-17(2)49-34-27(16)29(19-7-9-20(35)10-8-19)38-23(30-41-40-18(3)42(30)34)15-26(45)37-14-13-36-22-6-4-5-21-28(22)33(48)43(32(21)47)24-11-12-25(44)39-31(24)46/h4-10,23-24,36H,11-15H2,1-3H3,(H,37,45)(H,39,44,46)/t23-,24?/m0/s1
SMILES Code: O=C(NCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4
