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Chemical structure of E3 ligase Ligand-Linker Conjugates 9

GC32976

E3 ligase Ligand-Linker Conjugates 9

Also known as (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]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 9 is a conjugate of ligands for E3 and 25-atom-length linker· The connector of linker is Halogen group· E3 ligase Ligand-Linker Conjugates 9 incorporates the (S,R,S)-AHPC based VHL ligand and 6-unit PEG linker· E3 ligase Ligand-Linker Conjugates 9 is capable of inducing the degradation of GFP-HaloTag7 in cell-based assays

ChemicalCAS1835705-59-3MW827.47FormulaC40H63ClN4O10S
CAS number
1835705-59-3
Molecular weight
827.47
Formula
C40H63ClN4O10S
Solubility
Ethanol: 100 mg/mL (120·85 mM); DMSO: ≥ 100 mg/mL (120·85 mM)
InChIKey
XIGXWMDJELQVSW-WYMKREKISA-N
Catalogue number
GC32976
Brand
GLPBIO
Computed properties PubChem CID 129072821 · XLogP 3.5 · TPSA 195 Ų · H-bond donors 3
XLogP
3.5
TPSA
195 Ų
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
30
Heavy atoms
56

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)COCCOCCOCCOCCOCCOCCCCCCCl)O

Computed descriptors from PubChem (CID 129072821), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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