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Chemical structure of PROTAC BET Degrader-10

GC61211

PROTAC BET Degrader-10

Also known as 6-[[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]acetyl]amino]-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]hexanamide

PROTAC BET Degrader-10 is a potent BET protein BRD4 degrader extracted from patent WO2017007612A1, example 37, connected by ligands for Cereblon and BRD4, with a DC50 of 49 nM

ChemicalCAS1957234-97-7MW783.29FormulaC39H39ClN8O6S
CAS number
1957234-97-7
Molecular weight
783.29
Formula
C39H39ClN8O6S
InChIKey
KVKRYCAWRGWYNN-MBMZGMDYSA-N
Catalogue number
GC61211
Brand
GLPBIO
Computed properties PubChem CID 124190914 · XLogP 3.3 · TPSA 213 Ų · H-bond donors 3
XLogP
3.3
TPSA
213 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
55

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCCCC(=O)NCC4=C5C(=CC=C4)C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C

Computed descriptors from PubChem (CID 124190914), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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