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Chemical structure of E3 ligase Ligand-Linker Conjugates 16

GC30064

E3 ligase Ligand-Linker Conjugates 16

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

E3 ligase Ligand-Linker Conjugates 16 (Cereblon Ligand-Linker Conjugates 6 TFA) is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker used in PROTAC technology

ChemicalCAS1799711-25-3MW516.42FormulaC21H23F3N4O8
CAS number
1799711-25-3
Molecular weight
516.42
Formula
C21H23F3N4O8
Solubility
DMSO ： 42·86 mg/mL (82·99 mM)
InChIKey
XVUPBWSTMLHSHM-UHFFFAOYSA-N
Catalogue number
GC30064
Brand
GLPBIO
Computed properties PubChem CID 121410950 · TPSA 185 Ų · H-bond donors 4 · H-bond acceptors 12
TPSA
185 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
36

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

Computed descriptors from PubChem (CID 121410950), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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