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Chemical structure of E3 ligase Ligand-Linker Conjugates 4

GC30071

E3 ligase Ligand-Linker Conjugates 4

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

E3 ligase Ligand-Linker Conjugates 4 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

ChemicalCAS1797406-81-5MW689.82FormulaC32H47N7O8S
CAS number
1797406-81-5
Molecular weight
689.82
Formula
C32H47N7O8S
Solubility
DMSO ： 50 mg/mL (72·48 mM)
InChIKey
UFMONCFLONVNNI-UWPQIUOOSA-N
Catalogue number
GC30071
Brand
GLPBIO
Computed properties PubChem CID 131704493 · XLogP 2.7 · TPSA 191 Ų · H-bond donors 3
XLogP
2.7
TPSA
191 Ų
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
21
Heavy atoms
48

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=[N+]=[N-])O

Computed descriptors from PubChem (CID 131704493), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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