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Chemical structure of Thalidomide-O-PEG4-NHS ester

GC63529

Thalidomide-O-PEG4-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate

Thalidomide-O-PEG4-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2411681-88-2MW619.57FormulaC28H33N3O13
CAS number
2411681-88-2
Molecular weight
619.57
Formula
C28H33N3O13
Solubility
DMSO : 83·33 mg/mL (134·50 mM; Need ultrasonic)
InChIKey
ITOQEZXJMMXWEQ-UHFFFAOYSA-N
Catalogue number
GC63529
Brand
GLPBIO
Computed properties PubChem CID 145994568 · XLogP -1.6 · TPSA 193 Ų · H-bond donors 1
XLogP
-1.6
TPSA
193 Ų
H-bond donors
1
H-bond acceptors
13
Rotatable bonds
19
Heavy atoms
44

SMILES C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCCOCCOCCC(=O)ON4C(=O)CCC4=O

Computed descriptors from PubChem (CID 145994568), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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