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Chemical structure of E3 ligase Ligand-Linker Conjugates 8

GC32987

E3 ligase Ligand-Linker Conjugates 8

Also known as (2S,4R)-1-[(2S)-2-[6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]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 8 (VH032-C6-PEG3-C4-Cl) is a conjugate of ligands for E3 and 20-atom-length linker· The connector of linker is Halogen group· E3 ligase Ligand-Linker Conjugates 8 incorporates the (S,R,S)-AHPC based VHL ligand and an alkyl/ether-based linker· E3 ligase Ligand-Linker Conjugates 8 is capable of inducing the degradation of GFP-HaloTag7 in cell-based assays

ChemicalCAS1835705-55-9MW751.42FormulaC38H59ClN4O7S
CAS number
1835705-55-9
Molecular weight
751.42
Formula
C38H59ClN4O7S
Solubility
Ethanol: 100 mg/mL (133·08 mM); DMSO: ≥ 100 mg/mL (133·08 mM)
InChIKey
MLRLOIWXHCPWFF-MEEYNGGZSA-N
Catalogue number
GC32987
Brand
GLPBIO
Computed properties PubChem CID 129072788 · XLogP 4.9 · TPSA 168 Ų · H-bond donors 3
XLogP
4.9
TPSA
168 Ų
H-bond donors
3
H-bond acceptors
9
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)CCCCCOCCOCCOCCCCCCCl)O

Computed descriptors from PubChem (CID 129072788), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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