PGN-9856 - Moligand™ , Agonist of EP 2 receptor, CAS No.P612777, Agonist of EP 2 receptor

CAS: P612777 Cat. No.: P612777 PubChem CID: 59654860

GRADE & PURITY Moligand™

Synonyms

PGN 9856 | 3-[(3'-fluoro-4-fluorobiphenyl-3-carbonyl)amino]phenoxyacetic acid | GTPL10110 | SCHEMBL3062083 | XS8JT2C7RL | HZJWJNHYKNSGAT-UHFFFAOYSA-N | PGN9856 | PGN-9856 | 2-[3-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenoxy]acetic acid | Acetic acid,

Storage

Room temperature

Specifications

Synonyms

PGN 9856 | 3-[(3'-fluoro-4-fluorobiphenyl-3-carbonyl)amino]phenoxyacetic acid | GTPL10110 | SCHEMBL3062083 | XS8JT2C7RL | HZJWJNHYKNSGAT-UHFFFAOYSA-N | PGN9856 | PGN-9856 | 2-[3-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenoxy]acetic acid | Acetic acid,

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of EP 2 receptor

Names and Identifiers

• Canonical Smiles: OC(=O)COc1cccc(c1)NC(=O)c1cc(ccc1F)c1cccc(c1)F
• IUPAC Name: 2-[3-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenoxy]acetic acid
• InChIKey: HZJWJNHYKNSGAT-UHFFFAOYSA-N
• INCHI: 1S/C21H15F2NO4/c22-15-4-1-3-13(9-15)14-7-8-19(23)18(10-14)21(27)24-16-5-2-6-17(11-16)28-12-20(25)26/h1-11H,12H2,(H,24,27)(H,25,26)
• Isomeric SMILES: C1=CC(=CC(=C1)F)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=CC=C3)OCC(=O)O
• PubChem CID: 59654860

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Biphenyls and derivatives Phenoxyacetic acid derivatives 2-halobenzoic acids and derivatives Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous halides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Biphenyl - Phenoxyacetate - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenol ether - Benzoyl - Phenoxy compound - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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

Associated Targets(Human)

PTGER2 Tclin Prostaglandin E2 receptor EP2 subtype (1 Activities)

Discover Target: PTGER2

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