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Chemical structure of Thalidomide-O-amido-PEG1-(C1-PEG)2-C2-NH2

GC61330

Thalidomide-O-amido-PEG1-(C1-PEG)2-C2-NH2

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

Thalidomide-O-amido-PEG1-(C1-PEG)2-C2-NH2 is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and 3-unit PEG linker used in PROTAC technology

ChemicalCAS2435572-49-7MW648.58FormulaC27H35F3N4O11
CAS number
2435572-49-7
Molecular weight
648.58
Formula
C27H35F3N4O11
InChIKey
XLQMWZARPGGRIS-UHFFFAOYSA-N
Catalogue number
GC61330
Brand
GLPBIO
Computed properties PubChem CID 134828252 · TPSA 213 Ų · H-bond donors 4 · H-bond acceptors 15
TPSA
213 Ų
H-bond donors
4
H-bond acceptors
15
Rotatable bonds
17
Heavy atoms
45

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

Computed descriptors from PubChem (CID 134828252), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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