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Chemical structure of ZXH-3-26

GC65269

ZXH-3-26

Also known as methyl 2-[(9S)-7-(4-chlorophenyl)-4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentylcarbamoyl]-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

ZXH-3-26 is a PROTAC connected by ligands for Cereblon and BRD4 with a DC50/5h of 5 nM· The DC50/5h refers to half-maximal degradation after 5 hours of treatment of ~ 5 nM

ChemicalCAS2243076-67-5MW785.27FormulaC38H37ClN8O7S
CAS number
2243076-67-5
Molecular weight
785.27
Formula
C38H37ClN8O7S
Solubility
DMSO ： 200 mg/mL (254·69 mM; Need ultrasonic)
InChIKey
OTKOFICOCDRNDA-PMCHYTPCSA-N
Catalogue number
GC65269
Brand
GLPBIO
Computed properties PubChem CID 132427808 · XLogP 4.6 · TPSA 222 Ų · H-bond donors 3
XLogP
4.6
TPSA
222 Ų
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
13
Heavy atoms
55

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC)C4=CC=C(C=C4)Cl)C(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O

Computed descriptors from PubChem (CID 132427808), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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