MSAB - ≥98% , CAS No.173436-66-3

CAS: 173436-66-3 Cat. No.: M413672 Peso molecular: 305.35 Número EC: 103-777-5

GRADE & PURITY ≥98%

Synonyms

Benzoic acid,3-​[[(4-​methylphenyl)​sulfonyl]​amino]​-​,methyl ester | 3-[[(4-Methylphenyl)sulfonyl]amino]-benzoic acid methyl ester | Methyl 3-{[(4-methylphenyl)sulfonyl]amino}benzoate | WI-21

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Benzoic acid, 3-​[[(4-​methylphenyl)​sulfonyl]​amino]​-​, methyl ester | 3-[[(4-Methylphenyl)sulfonyl]amino]-benzoic acid methyl ester | Methyl 3-{[(4-methylphenyl)sulfonyl]amino}benzoate | WI-21

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

MSAB is a selective inhibitor of Wnt/β-catenin signaling that binds to β-catenin, promoting its degradation, and specifically downregulates Wnt/β-catenin target genes. MSAB shows potent anti-tumor effects.A cell-permeable compound that targets β-catenin v

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760402
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760402
• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)OC
• IUPAC Name: methyl 3-[(4-methylphenyl)sulfonylamino]benzoate
• InChIKey: CVKBYFCJQSPBOI-UHFFFAOYSA-N
• INCHI: 1S/C15H15NO4S/c1-11-6-8-14(9-7-11)21(18,19)16-13-5-3-4-12(10-13)15(17)20-2/h3-10,16H,1-2H3
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)OC
• Peso molecular: 305.35
• Reaxy-Rn: 7594151
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7594151&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Tosyl compounds
          • Level6 P-toluenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Tosyl compounds
• Direct Parent: P-toluenesulfonamides
• Alternative Parents: Sulfanilides Benzoic acid esters Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Organosulfonamides Methyl esters Aminosulfonyl compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-toluenesulfonamide - Benzenesulfonamide - Benzoate ester - Sulfanilide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Organosulfonic acid amide - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group.
• 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

Objetivos asociados (humanos)

HCT-116 (91556 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 61 mg/mL (199.77 mM); Ethanol: 10 mg/mL (32.74 mM); Water: Insoluble
• Peso molecular: 305.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 305.072 Da
• Monoisotopic Mass: 305.072 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 449.000
• 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