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Chemical structure of Thalidomide-propargyl

GC38862

Thalidomide-propargyl

Also known as 2-(2,6-dioxopiperidin-3-yl)-4-prop-2-ynoxyisoindole-1,3-dione

Thalidomide-propargyl is the Thalidomide-based Cereblon ligand used in the recruitment of CRBN protein· Thalidomide-propargyl can be connected to the ligand for protein by a linker to form the IMiD containing PROTACs

ChemicalCAS2098487-39-7MW312.28FormulaC16H12N2O5
CAS number
2098487-39-7
Molecular weight
312.28
Formula
C16H12N2O5
Solubility
Soluble in DMSO
InChIKey
NOGQTNDSZFYNTM-UHFFFAOYSA-N
Catalogue number
GC38862
Brand
GLPBIO
Computed properties PubChem CID 132118478 · XLogP 0.4 · TPSA 92.8 Ų · H-bond donors 1
XLogP
0.4
TPSA
92.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23

SMILES C#CCOC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O

Computed descriptors from PubChem (CID 132118478), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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