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

CAS: 1242422-09-8 Cat. No.: S648238 Molecular Weight: 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

Synonyms

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

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

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.

Storage

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

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Canonical 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
• 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)
• Isomeric 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
• MeSH Entry Terms: 4-(N-methyl-N-(4-(trifluoromethyl)phenyl)sulfamoyl) benzoic acid;SSTC3
• Molecular Weight: 518.53

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: DMSO : 125 mg/mL (241.07 mM; Need ultrasonic)
• Sensitivity: Light sensitive
• Molecular Weight: 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