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Chemical structure of Thalidomide-NH-CH2-COOH

GC62378

Thalidomide-NH-CH2-COOH

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

Thalidomide-NH-CH2-COOH is the Thalidomide-based cereblon ligand used in the recruitment of CRBN protein· Thalidomide-NH-CH2-COOH can be connected to the ligand for protein by a linker to form PROTACs, such as THAL-SNS-032

ChemicalCAS927670-97-1MW331.28FormulaC15H13N3O6
CAS number
927670-97-1
Molecular weight
331.28
Formula
C15H13N3O6
Solubility
DMSO : 50 mg/mL (150·93 mM; Need ultrasonic)
InChIKey
LRGLFYOYKPSPJQ-UHFFFAOYSA-N
Catalogue number
GC62378
Brand
GLPBIO
Computed properties PubChem CID 58827328 · XLogP 0.5 · TPSA 133 Ų · H-bond donors 3
XLogP
0.5
TPSA
133 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
24

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

Computed descriptors from PubChem (CID 58827328), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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