Phthalylsulfacetamide - 10mM in DMSO , CAS No.131-69-1

CAS: 131-69-1 Cat. No.: P421228 Formule: C₁₆H₁₄N₂O₆S Poids moléculaire: 362.36 Numéro CE: 205-035-7 PubChem CID: 8574

GRADE & PURITY 10mM in DMSO

Synonyms

CHEBI:135528 | HMS1613G10 | Pharmakon1600-01505728 | NSC 163977 | Oprea1_188425 | Phthalylsulfacetamide [BAN:NF] | Tamid | CCG-213977 | TSC-80 | Kalacet | SBI-0207072.P001 | 2-([(4-([Acetylamino]sulfonyl)phenyl)amino]carbonyl)benzoic acid | AB01563234_01

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

CHEBI:135528 | HMS1613G10 | Pharmakon1600-01505728 | NSC 163977 | Oprea1_188425 | Phthalylsulfacetamide [BAN:NF] | Tamid | CCG-213977 | TSC-80 | Kalacet | SBI-0207072.P001 | 2-([(4-([Acetylamino]sulfonyl)phenyl)amino]carbonyl)benzoic acid | AB01563234_01

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Pubchem Sid: 528775860
• Sourires canoniques: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O
• IUPAC Name: 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid
• InChIKey: SNWQKAWITMVCQW-UHFFFAOYSA-N
• INCHI: 1S/C16H14N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h2-9H,1H3,(H,17,20)(H,18,19)(H,21,22)
• Isomères SMILES: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O
• PubChem CID: 8574
• Poids moléculaire: 362.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzenesulfonamides Benzamides Benzenesulfonyl compounds Benzoic acids Benzoyl derivatives Organosulfonic acids and derivatives Acetamides Aminosulfonyl compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organonitrogen compounds Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzenesulfonamide - Benzamide - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - Benzoyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Cibles associées (humaines)

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 362.400 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 362.057 Da
• Monoisotopic Mass: 362.057 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 619.000
• 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

Références

1. Shuyan Miao, Jing Zhou, Zhen Xu, Yuting Wang, Rui Liu, Tian Gan.  (2026)  A Cu-based catalytic molecularly imprinted electrochemical sensor on paper for phthalylsulfacetamide detection in environmental water.  Journal of Environmental Chemical Engineering,  14  (2): (121808).  [PMID:] [10.1016/j.jece.2026.121808]