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Chemical structure of E3 ligase Ligand 3

GC30029

E3 ligase Ligand 3

Also known as 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid

E3 ligase Ligand 3 (Cereblon ligand 3) is the Thalidomide-based Cereblon ligand used in the recruitment of CRBN protein

ChemicalCAS1061605-21-7MW332.26FormulaC15H12N2O7
CAS number
1061605-21-7
Molecular weight
332.26
Formula
C15H12N2O7
Solubility
DMSO : ≥ 42 mg/mL (126·41 mM)
InChIKey
ZVWIXIGBWIEDFO-UHFFFAOYSA-N
Catalogue number
GC30029
Brand
GLPBIO
Computed properties PubChem CID 25015436 · XLogP -0.1 · TPSA 130 Ų · H-bond donors 2
XLogP
-0.1
TPSA
130 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
24

SMILES C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)O

Computed descriptors from PubChem (CID 25015436), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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