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Chemical structure of Thalidomide-O-amido-C3-NH2 (TFA)

GC38095

Thalidomide-O-amido-C3-NH2 (TFA)

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

Thalidomide-O-amido-C3-NH2 (TFA) is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker used in PROTAC technology

ChemicalCAS2022182-58-5MW502.4FormulaC20H21F3N4O8
CAS number
2022182-58-5
Molecular weight
502.4
Formula
C20H21F3N4O8
Solubility
DMSO： 125 mg/mL (248·81 mM)
InChIKey
OKTNKIORKNBBAG-UHFFFAOYSA-N
Catalogue number
GC38095
Brand
GLPBIO
Computed properties PubChem CID 139291000 · TPSA 185 Ų · H-bond donors 4 · H-bond acceptors 12
TPSA
185 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
35

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

Computed descriptors from PubChem (CID 139291000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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