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NRX-252114

CAT: 0013-GTR19185131-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185131-01Size:1 mg
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Description
NRX-252114 is a potent small molecule that enhances the interaction between mutant β-catenin (pSer33/S37A) and the E3 ubiquitin ligase SCFβ-TrCP, promoting targeted degradation with high affinity (Kd = 0.4 nM) . This molecular glue has been utilized in vitro and in vivo to study Wnt/β-catenin signaling dysregulation in cancer models, offering a research tool for targeted protein degradation.
CAS Number
2763260-39-3
Product Name Alternative
Beta-catenin, betacatenin, bcatenin, NRX252114, NRX-252114, NRX 252114, Wnt/betacatenin, Wnt/β-catenin, Wnt/b-catenin, Wnt, β-catenin, βcatenin
Field of Research
Metabolism Research, Pharmacology & Drug Discovery, Signal Transduction, Stem Cell & Developmental Biology
Purity
98.13% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.92 mM) ; DMSO:50 mg/mL (97.98 mM)
Smiles
S (C1=C (C (=O) N2CC=3C (C2) =CC=CC3C#N) C (=O) NC (C (F) (F) F) =C1) C4=C (Cl) C=CC=C4Cl
Molecular Formula
C22H12Cl2F3N3O2S
Molecular Weight
510.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(4-((2,6-Dichlorophenyl)thio)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl)isoindoline-4-carbonitrile
CAS Number2763260-39-3
PubChem CID162640509
IUPAC Name2-[4-(2,6-dichlorophenyl)sulfanyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-1,3-dihydroisoindole-4-carbonitrile
Molecular FormulaC22H12Cl2F3N3O2S
Molecular Weight510.3
XLogP4.6
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity935
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
InChI
InChI=1S/C22H12Cl2F3N3O2S/c23-14-5-2-6-15(24)19(14)33-16-7-17(22(25,26)27)29-20(31)18(16)21(32)30-9-12-4-1-3-11(8-28)13(12)10-30/h1-7H,9-10H2,(H,29,31)
InChIKey
BMQXGPBUQGPLOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-((2,6-Dichlorophenyl)thio)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl)isoindoline-4-carbonitrile
CAS: 2763260-39-3
CID: 162640509
Formula: C22H12Cl2F3N3O2S
MW: 510.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.3
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass508.9979377
Monoisotopic Mass508.9979377
Topological Polar Surface Area98.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity935
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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