DCDPC - Moligand™ , Channel blocker of CaCC, CAS No.17870-85-8, Channel blocker of CaCC

CAS: 17870-85-8 Cat. No.: D609760 PubChem CID: 87345

GRADE & PURITY Moligand™

Synonyms

3',5-Dichlorodiphenylamine-2-carboxylic acid | SCHEMBL6551809 | 4-chloro-2-(3-chloroanilino)benzoic acid | Q27076997 | GTPL4173 | Dci-dpc | 3',5-Dichlorodiphenylamine-2-carboxylate | 4-chloro-2-[(3-chlorophenyl)amino]benzoic acid | DTXSID00170530 | 4-CHLO

Storage

Room temperature

Specifications

Sinónimos

3', 5-Dichlorodiphenylamine-2-carboxylic acid | SCHEMBL6551809 | 4-chloro-2-(3-chloroanilino)benzoic acid | Q27076997 | GTPL4173 | Dci-dpc | 3', 5-Dichlorodiphenylamine-2-carboxylate | 4-chloro-2-[(3-chlorophenyl)amino]benzoic acid | DTXSID00170530 | 4-CHLO

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

CHANNEL BLOCKER

Mecanismo de acción

Channel blocker of CaCC

Nombres e identificadores

• Sonrisas canónicas: Clc1cccc(c1)Nc1cc(Cl)ccc1C(=O)O
• IUPAC Name: 4-chloro-2-[(3-chlorophenyl)amino]benzoic acid
• InChIKey: GSDQYSSLIKJJOG-UHFFFAOYSA-N
• INCHI: 1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-12-7-9(15)4-5-11(12)13(17)18/h1-7,16H,(H,17,18)
• Isómeros SMILES: C1=CC(=CC(=C1)Cl)NC2=C(C=CC(=C2)Cl)C(=O)O
• PubChem CID: 87345

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzoic acids
• Alternative Parents: 4-halobenzoic acids Halobenzoic acids Benzoic acids Benzoyl derivatives Aniline and substituted anilines Chlorobenzenes Aryl chlorides Vinylogous amides Amino acids Monocarboxylic acids and derivatives Secondary amines Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid - Halobenzoic acid - 4-halobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Amino acid or derivatives - Amino acid - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
• 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)

ANO1 Tclin Anoctamin-1 (0 Activities)

Discover Target: ANO1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Peso molecular: 282.120 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 281.001 Da
• Monoisotopic Mass: 281.001 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 301.000
• 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