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Chemical structure of dBET57

GC35815

dBET57

Also known as 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]acetamide

dBET57 is a potent and selective degrader of BRD4BD1 based on the PROTAC technology· dBET57 mediates recruitment to the CRL4Cereblon E3 ubiquitin ligase, with a DC50/5h of 500 nM for BRD4BD1, and is inactive on BRD4BD2

ChemicalCAS1883863-52-2MW699.18FormulaC34H31ClN8O5S
CAS number
1883863-52-2
Molecular weight
699.18
Formula
C34H31ClN8O5S
Solubility
DMSO： 250 mg/mL (357·56 mM)
InChIKey
CZRLOIDJCMKJHE-UXMRNZNESA-N
Catalogue number
GC35815
Brand
GLPBIO
Computed properties PubChem CID 118912822 · XLogP 3.7 · TPSA 196 Ų · H-bond donors 3
XLogP
3.7
TPSA
196 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
49

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C

Computed descriptors from PubChem (CID 118912822), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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