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Chemical structure of E3 ligase Ligand-Linker Conjugates 7

GC32866

E3 ligase Ligand-Linker Conjugates 7

Also known as (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

E3 ligase Ligand-Linker Conjugates 7 is a synthesized E3 ligase ligand-linker conjugate that incorporates the (S,R,S)-AHPC based VHL ligand and 4-unit PEG linker used in PROTAC technology

ChemicalCAS2064292-52-8MW700.29FormulaC32H50ClN5O8S
CAS number
2064292-52-8
Molecular weight
700.29
Formula
C32H50ClN5O8S
Solubility
Water ： 50 mg/mL (71·40 mM)
InChIKey
MSKHBFIXTCSMKP-DDLJGEAHSA-N
Catalogue number
GC32866
Brand
GLPBIO
Computed properties PubChem CID 131704498 · TPSA 203 Ų · H-bond donors 5 · H-bond acceptors 11
TPSA
203 Ų
H-bond donors
5
H-bond acceptors
11
Rotatable bonds
20
Heavy atoms
47

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCOCCN)O.Cl

Computed descriptors from PubChem (CID 131704498), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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