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Chemical structure of NRX-252114

GC65919

NRX-252114

Also known as 2-[4-(2,6-dichlorophenyl)sulfanyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-1,3-dihydroisoindole-4-carbonitrile

NRX-252114 is a potent enhancer of the interaction between β-catenin, and its cognate E3 ligase, SCFβ-TrCP· NRX-252114 enhances the binding of pSer33/S37A β-catenin peptide for β-TrCP with an EC50 of 6·5 nM and a Kd of 0·4 nM· NRX-252114 induces mutant β-catenin degradation

ChemicalCAS2763260-39-3MW510.32FormulaC22H12Cl2F3N3O2S
CAS number
2763260-39-3
Molecular weight
510.32
Formula
C22H12Cl2F3N3O2S
InChIKey
BMQXGPBUQGPLOV-UHFFFAOYSA-N
Catalogue number
GC65919
Brand
GLPBIO
Computed properties PubChem CID 162640509 · XLogP 4.6 · TPSA 98.5 Ų · H-bond donors 1
XLogP
4.6
TPSA
98.5 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
33

SMILES C1C2=C(CN1C(=O)C3=C(C=C(NC3=O)C(F)(F)F)SC4=C(C=CC=C4Cl)Cl)C(=CC=C2)C#N

Computed descriptors from PubChem (CID 162640509), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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