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Chemical structure of Thalidomide-O-C8-COOH

GC60363

Thalidomide-O-C8-COOH

Also known as 9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoic acid

Thalidomide-O-C8-COOH is the Thalidomide-based Cereblon ligand used in the recruitment of CRBN protein· Thalidomide-O-C8-COOH (Cereblon ligand 3) can be connected to the ligand for protein by a linker to form PROTACs

ChemicalCAS2225148-51-4MW430.45FormulaC22H26N2O7
CAS number
2225148-51-4
Molecular weight
430.45
Formula
C22H26N2O7
InChIKey
JDVPWEYIVOQCDX-UHFFFAOYSA-N
Catalogue number
GC60363
Brand
GLPBIO
Computed properties PubChem CID 139433330 · XLogP 2.5 · TPSA 130 Ų · H-bond donors 2
XLogP
2.5
TPSA
130 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
31

SMILES C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCCCC(=O)O

Computed descriptors from PubChem (CID 139433330), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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