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Chemical structure of E3 ligase Ligand 2

GC32848

E3 ligase Ligand 2

Also known as 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione

E3 ligase Ligand 2 (Cereblon ligand 2) is the Thalidomide-based Cereblon ligand used in the recruitment of CRBN protein· E3 ligase Ligand 2 (Cereblon ligand 2) can be connected to the ligand for protein by a linker to form PROTACs

ChemicalCAS5054-59-1MW274.23FormulaC13H10N2O5
CAS number
5054-59-1
Molecular weight
274.23
Formula
C13H10N2O5
Solubility
DMSO : ≥ 36·5 mg/mL (133·10 mM)
InChIKey
XMPJICVFSDYOEG-UHFFFAOYSA-N
Catalogue number
GC32848
Brand
GLPBIO
Computed properties PubChem CID 11778087 · XLogP 0.5 · TPSA 104 Ų · H-bond donors 2
XLogP
0.5
TPSA
104 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
20

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

Computed descriptors from PubChem (CID 11778087), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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