MSAB - ≥98% , CAS No.173436-66-3

CAS: 173436-66-3 Cat. No.: M413672 Fórmula: C₁₅H₁₅NO₄S Peso molecular: 305.35 Número CE: 103-777-5

GRAU & PUREZA ≥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

Especificações

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e 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

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504760402

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760402

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Tosyl compounds
          • Level6 P-toluenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (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 ação

Propriedades químicas e físicas

• Solubilidade: 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 173436-66-3, the molecular formula is C15H15NO4S, and the molecular weight is 305.35 g/mol. InChIKey CVKBYFCJQSPBOI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.