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Chemical structure of Pomalidomide-C3-NHS ester

GC75360

Pomalidomide-C3-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoate

Pomalidomide-C3-NHS ester is a synthesized E3 ligase ligand-linker conjugate, incorporating the Pomalidomide based cereblon ligand and NHS ester linker

ChemicalCAS2828476-87-3MW456.41FormulaC21H20N4O8
CAS number
2828476-87-3
Molecular weight
456.41
Formula
C21H20N4O8
Solubility
DMSO: 100 mg/mL (219·10 mM; Need ultrasonic)
InChIKey
BUNBREDWIITCDJ-UHFFFAOYSA-N
Catalogue number
GC75360
Brand
GLPBIO
Computed properties PubChem CID 165413041 · XLogP 0 · TPSA 159 Ų · H-bond donors 2
XLogP
0
TPSA
159 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
33

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

Computed descriptors from PubChem (CID 165413041), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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