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Chemical structure of dBET23

GC63445

dBET23

Also known as methyl 2-[(9S)-7-(4-chlorophenyl)-4-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylcarbamoyl]-5,13-dimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate

dBET23 is a highly effective and selective PROTAC BRD4 degrader with a DC50/5h of ~ 50 nM for BRD4BD1 protein

ChemicalCAS1957234-83-1MW885.38FormulaC43H45ClN8O9S
CAS number
1957234-83-1
Molecular weight
885.38
Formula
C43H45ClN8O9S
Solubility
DMSO ： 170 mg/mL (192·01 mM; Need ultrasonic)
InChIKey
ZIHIUFZFPMILIG-XLTVJXRZSA-N
Catalogue number
GC63445
Brand
GLPBIO
Computed properties PubChem CID 124190790 · XLogP 4.8 · TPSA 249 Ų · H-bond donors 3
XLogP
4.8
TPSA
249 Ų
H-bond donors
3
H-bond acceptors
13
Rotatable bonds
18
Heavy atoms
62

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC)C4=CC=C(C=C4)Cl)C(=O)NCCCCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O

Computed descriptors from PubChem (CID 124190790), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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