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Chemical structure of E3 ligase Ligand 4

GC30164

E3 ligase Ligand 4

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

E3 ligase Ligand 4 (Cereblon ligand 4) is the Thalidomide-based Cereblon ligand used in the recruitment of CRBN protein· E3 ligase Ligand 4 (Cereblon ligand 4) can be connected to the ligand for IRAK4 protein by a linker to form PROTAC IRAK4 degrader-1

ChemicalCAS835616-60-9MW276.22FormulaC13H9FN2O4
CAS number
835616-60-9
Molecular weight
276.22
Formula
C13H9FN2O4
Solubility
DMSO : 200 mg/mL (724·06 mM)
InChIKey
CRAUTELYXAAAPW-UHFFFAOYSA-N
Catalogue number
GC30164
Brand
GLPBIO
Computed properties PubChem CID 11859051 · XLogP 0.4 · TPSA 83.6 Ų · H-bond donors 1
XLogP
0.4
TPSA
83.6 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
20

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

Computed descriptors from PubChem (CID 11859051), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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