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Chemical structure of E3 ligase Ligand 1

GC32711

E3 ligase Ligand 1

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

E3 ligase Ligand 1 (VHL ligand 2 hydrochloride) is the (S,R,S)-AHPC-based VHL ligand used in the recruitment of the von Hippel-Lindau (VHL) protein· E3 ligase Ligand 1 can be used to synthesize ARV-771, a von Hippel-Landau (VHL) E3 ligase-based BET PROTAC degrader· ARV-771 potently degrades BET protein in castration-resistant prostate cancer (CRPC) cells with a DC50 ＜1 nM

ChemicalCAS1948273-03-7MW481.05FormulaC23H33ClN4O3S
CAS number
1948273-03-7
Molecular weight
481.05
Formula
C23H33ClN4O3S
Solubility
DMSO ： ≥ 63 mg/mL (130·96 mM)
InChIKey
GHFOLQCCYGBOTL-QDVBFIRISA-N
Catalogue number
GC32711
Brand
GLPBIO
Computed properties PubChem CID 122422950 · TPSA 137 Ų · H-bond donors 4 · H-bond acceptors 6
TPSA
137 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32

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

Computed descriptors from PubChem (CID 122422950), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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