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Chemical structure of Thalidomide 4'-oxyacetamide-PEG3-amine

GC50462

Thalidomide 4'-oxyacetamide-PEG3-amine

Also known as N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochloride

Thalidomide 4'-oxyacetamide-PEG3-amine is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and 3-unit PEG linker used in PROTAC technology

ChemicalCAS2245697-84-9MW542.97FormulaC23H30N4O9·HCl
CAS number
2245697-84-9
Molecular weight
542.97
Formula
C23H30N4O9·HCl
Solubility
DMSO : 125 mg/mL (230·22 mM; Need ultrasonic) ; H2O : 100 mg/mL (184·17 mM; Need ultrasonic)
InChIKey
ORRMBTUTYKQYQU-UHFFFAOYSA-N
Catalogue number
GC50462
Brand
GLPBIO
Computed properties PubChem CID 134160246 · TPSA 176 Ų · H-bond donors 4 · H-bond acceptors 10
TPSA
176 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
15
Heavy atoms
37

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

Computed descriptors from PubChem (CID 134160246), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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