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Chemical structure of Thalidomide-O-amido-C3-PEG3-C1-NH2

GC62595

Thalidomide-O-amido-C3-PEG3-C1-NH2

Also known as N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid

Thalidomide-O-amido-C3-PEG3-C1-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

ChemicalCAS1799711-29-7MW648.58FormulaC27H35F3N4O11
CAS number
1799711-29-7
Molecular weight
648.58
Formula
C27H35F3N4O11
Solubility
DMSO ： 200 mg/mL (308·37 mM; Need ultrasonic)
InChIKey
QLXAREGCLBGPLF-UHFFFAOYSA-N
Catalogue number
GC62595
Brand
GLPBIO
Computed properties PubChem CID 121411156 · 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)NCCCOCCOCCOCCCN.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 121411156), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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