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NRX-252114 B

CAT: 1410-M35723-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M35723-07Size:500 mg
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Description
NRX-252114 (NRX252114) induces degradation of mutant β-catenin NRX-252114 is a potent enhancer of the interaction of β-catenin with the homologous E3 ligase SCFβ-TrCP, and is able to enhance the binding of pSer33/S37A β-catenin to β-TrCP with an EC50 of 6.5 nM and a Kd of 0.4 nM. Kd is 0.4 nM.
CAS Number
2763260-39-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
510.32
Molecular Formula
C22H12Cl2F3N3O2S
Notes
Research use only, not for human use.
Receptor
Wnt/beta-catenin

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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