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Chemical structure of E3 ligase Ligand-Linker Conjugates 11

GC32986

E3 ligase Ligand-Linker Conjugates 11

Also known as (2S,4R)-1-[(2S)-2-[6-[5-(6-chlorohexoxy)pentoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

E3 ligase Ligand-Linker Conjugates 11 is a small molecule HaloPROTAC that incorporates the (S,R,S)-AHPC based VHL ligand and 2-unit PEG linker· E3 ligase Ligand-Linker Conjugates 11 is capable of inducing the degradation of GFP-HaloTag7 in cell-based assays

ChemicalCAS1835705-61-7MW749.44FormulaC39H61ClN4O6S
CAS number
1835705-61-7
Molecular weight
749.44
Formula
C39H61ClN4O6S
Solubility
DMSO： ≥ 100 mg/mL (133·43 mM); Ethanol： 50 mg/mL (66·72 mM)
InChIKey
DVLICOWBWULAJJ-RWTOGVPBSA-N
Catalogue number
GC32986
Brand
GLPBIO
Computed properties PubChem CID 129072768 · XLogP 6.1 · TPSA 158 Ų · H-bond donors 3
XLogP
6.1
TPSA
158 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
25
Heavy atoms
51

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)CCCCCOCCCCCOCCCCCCCl)O

Computed descriptors from PubChem (CID 129072768), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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