SSTC3 - Moligand™,≥98% , CAS No.1242422-09-8

CAS: 1242422-09-8 Cat. No.: S648238 Peso molecular: 518.53 PubChem CID: 46912682

GRADE & PURITY Moligand™, ≥98%

Synonyms

Benzamide, 4-[[methyl[4-(trifluoromethyl)phenyl]amino]sulfonyl]-N-[4-(2-pyridinyl)-2-thiazolyl]

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Benzamide, 4-[[methyl[4-(trifluoromethyl)phenyl]amino]sulfonyl]-N-[4-(2-pyridinyl)-2-thiazolyl]

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

SSTC3 is a casein kinase 1α (CK1α) activator ( K d = 32 nM) that inhibits WNT signaling ( EC 50 = 30 nM). SSTC3 exhibits minimal gastrointestinal toxicity compared to other classes of WNT inhibitors.

Condiciones de almacenamiento de almacenamiento

Protected from light, 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.

Grado

Moligand™

Tipo de acción

ACTIVATOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CN(C1=CC=C(C=C1)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=N4
• IUPAC Name: 4-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
• InChIKey: HSFAATUFWDDUGW-UHFFFAOYSA-N
• INCHI: 1S/C23H17F3N4O3S2/c1-30(17-9-7-16(8-10-17)23(24,25)26)35(32,33)18-11-5-15(6-12-18)21(31)29-22-28-20(14-34-22)19-4-2-3-13-27-19/h2-14H,1H3,(H,28,29,31)
• Isómeros SMILES: CN(C1=CC=C(C=C1)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=N4
• PubChem CID: 46912682
• Términos de entrada MeSH: 4-(N-methyl-N-(4-(trifluoromethyl)phenyl)sulfamoyl) benzoic acid;SSTC3
• Peso molecular: 518.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Trifluoromethylbenzenes Benzenesulfonamides Benzamides Benzenesulfonyl compounds Benzoyl derivatives 2,4-disubstituted thiazoles Pyridines and derivatives Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Sulfanilide - Trifluoromethylbenzene - Benzenesulfonamide - Benzoic acid or derivatives - Benzamide - Benzenesulfonyl group - Benzoyl - 2,4-disubstituted 1,3-thiazole - Pyridine - Organosulfonic acid amide - Azole - Aminosulfonyl compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organosulfur compound - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 125 mg/mL (241.07 mM; Need ultrasonic)
• Sensibilidad: Light sensitive
• Peso molecular: 518.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 518.069 Da
• Monoisotopic Mass: 518.069 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 823.000
• 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