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Chemical structure of Lenalidomide-acetylene-C5-COOH

GC60983

Lenalidomide-acetylene-C5-COOH

Also known as 8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoic acid

Lenalidomide-acetylene-C5-COOH (compound 43; Cereblon ligand-linker Conjugate) is the Lenalidomide-based Cereblon ligand used in the recruitment of CRBN protein· Lenalidomide-acetylene-C5-COOH can be connected to the ligand for protein by a linker to form PROTAC

ChemicalCAS2429878-72-6MW382.41FormulaC21H22N2O5
CAS number
2429878-72-6
Molecular weight
382.41
Formula
C21H22N2O5
InChIKey
UYYFKFKQSNARRT-UHFFFAOYSA-N
Catalogue number
GC60983
Brand
GLPBIO
Computed properties PubChem CID 139600323 · XLogP 1.8 · TPSA 104 Ų · H-bond donors 2
XLogP
1.8
TPSA
104 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
28

SMILES C1CC(=O)NC(=O)C1N2CC3=C(C=CC=C3C2=O)C#CCCCCCC(=O)O

Computed descriptors from PubChem (CID 139600323), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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