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Chemical structure of E3 ligase Ligand-Linker Conjugates 17

GC30050

E3 ligase Ligand-Linker Conjugates 17

Also known as N-(8-aminooctyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid

E3 ligase Ligand-Linker Conjugates 17 (Cereblon Ligand -Linker Conjugates 2 TFA) is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker used in PROTAC technology

ChemicalCAS1950635-16-1MW572.53FormulaC25H31F3N4O8
CAS number
1950635-16-1
Molecular weight
572.53
Formula
C25H31F3N4O8
Solubility
DMSO : ≥ 131 mg/mL (228·81 mM)
InChIKey
AJVLNIUPDHKOPS-UHFFFAOYSA-N
Catalogue number
GC30050
Brand
GLPBIO
Computed properties PubChem CID 121411067 · TPSA 185 Ų · H-bond donors 4 · H-bond acceptors 12
TPSA
185 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
12
Heavy atoms
40

SMILES C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCCCCCCN.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 121411067), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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