NRX-252262 - ≥99% , CAS No.2438637-61-5

CAS: 2438637-61-5 Cat. No.: N647521 Molecular Weight: 545.36 PubChem CID: 138319682

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

NRX-252262 is a potent enhancer of the interaction between β-Catenin , and its cognate E3 ligase , SCF β-TrCP , induces mutant β-catenin degradation, with an EC 50 of 3.8 nM

In Vitro

NRX-252262 (35 μM) causes S33E/S37A mutant β-catenin degradation in cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:EC50: 3.8 nM (β-Catenin-SCF β-TrCP )

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

NRX-252262 is a potent enhancer of the interaction between β-Catenin , and its cognate E3 ligase , SCF β-TrCP , induces mutant β-catenin degradation, with an EC 50 of 3.8 nM.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: COC1=C(C=C2CN(CC2=C1)C(=O)C3=C(C=C(NC3=O)C(F)(F)F)SC4=C(C=CC=C4Cl)Cl)OC
• IUPAC Name: 4-(2,6-dichlorophenyl)sulfanyl-3-(5,6-dimethoxy-1,3-dihydroisoindole-2-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
• InChIKey: SPAYLOCXFWJEBL-UHFFFAOYSA-N
• INCHI: 1S/C23H17Cl2F3N2O4S/c1-33-15-6-11-9-30(10-12(11)7-16(15)34-2)22(32)19-17(8-18(23(26,27)28)29-21(19)31)35-20-13(24)4-3-5-14(20)25/h3-8H,9-10H2,1-2H3,(H,29,31)
• PubChem CID: 138319682
• Molecular Weight: 545.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Pyridinecarboxylic acids and derivatives Isoindolines Thiophenol ethers Polyhalopyridines Anisoles Pyridinones Methylpyridines Chlorobenzenes Alkyl aryl ethers 2-halopyridines Vinylogous thioesters N-acyl amines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diarylthioether - Pyridine carboxylic acid or derivatives - Isoindole or derivatives - Isoindoline - Polyhalopyridine - Thiophenol ether - Anisole - 2-halopyridine - Methylpyridine - Pyridinone - Halobenzene - Chlorobenzene - Alkyl aryl ether - Vinylogous thioester - Benzenoid - Pyridine - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 8.33 mg/mL (15.27 mM; Need ultrasonic)
• Molecular Weight: 545.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 544.024 Da
• Monoisotopic Mass: 544.024 Da
• Topological Polar Surface Area: 93.200 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 886.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1