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Chemical structure of Thalidomide-NH-C4-NH-Boc

GC62722

Thalidomide-NH-C4-NH-Boc

Also known as tert-butyl N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]carbamate

Thalidomide-NH-C4-NH-Boc (compound 15) is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker used in PROTAC technology

ChemicalCAS2093388-52-2MW444.48FormulaC22H28N4O6
CAS number
2093388-52-2
Molecular weight
444.48
Formula
C22H28N4O6
Solubility
DMSO : 100 mg/mL (224·98 mM; Need ultrasonic)
InChIKey
OYPNLZMEXLFKLB-UHFFFAOYSA-N
Catalogue number
GC62722
Brand
GLPBIO
Computed properties PubChem CID 138694407 · XLogP 2.1 · TPSA 134 Ų · H-bond donors 3
XLogP
2.1
TPSA
134 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
32

SMILES CC(C)(C)OC(=O)NCCCCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O

Computed descriptors from PubChem (CID 138694407), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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