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Chemical structure of E3 ligase Ligand 1A

GC33101

E3 ligase Ligand 1A

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

E3 ligase Ligand 1A (VHL ligand 2) is the (S,R,S)-AHPC-based VHL ligand used in the recruitment of the von Hippel-Lindau (VHL) protein· E3 ligase Ligand 1A 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

ChemicalCAS1948273-02-6MW444.59FormulaC23H32N4O3S
CAS number
1948273-02-6
Molecular weight
444.59
Formula
C23H32N4O3S
Solubility
Soluble in DMSO
InChIKey
JOSFQWNOUSNZBP-UUZHKXTQSA-N
Catalogue number
GC33101
Brand
GLPBIO
Computed properties PubChem CID 122422951 · XLogP 2.5 · TPSA 137 Ų · H-bond donors 3
XLogP
2.5
TPSA
137 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31

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

Computed descriptors from PubChem (CID 122422951), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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