zaloglanstat - Moligand™ , Inhibitor of mPGES1, CAS No.1513852-12-4, Inhibitor of mPGES1

CAS: 1513852-12-4 Cat. No.: Z614941 PubChem CID: 136246033

GRADE & PURITY Moligand™

Synonyms

Zaloglanstat [INN] | 1513852-12-4 | ISC-27864 | UNII-V5SE449P9L | Propanamide, N-((4-chloro-3-(2,5-dihydro-5-oxo-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)methyl)-2,2-dimethyl- | N-[(4-chloro-3-{5-oxo-1-[4-(trifluoromethyl)phenyl]-2,5-dih

Storage

Room temperature

Specifications

Sinónimos

Zaloglanstat [INN] | 1513852-12-4 | ISC-27864 | UNII-V5SE449P9L | Propanamide, N-((4-chloro-3-(2, 5-dihydro-5-oxo-1-(4-(trifluoromethyl)phenyl)-1H-1, 2, 4-triazol-3-yl)phenyl)methyl)-2, 2-dimethyl- | N-[(4-chloro-3-{5-oxo-1-[4-(trifluoromethyl)phenyl]-2, 5-dih

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of mPGES1

Nombres e identificadores

• Sonrisas canónicas: O=C(C(C)(C)C)NCc1ccc(c(c1)c1[nH]n(c(=O)n1)c1ccc(cc1)C(F)(F)F)Cl
• IUPAC Name: N-[(4-chloro-3-{5-oxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazol-3-yl}phenyl)methyl]-2,2-dimethylpropanamide
• InChIKey: DOVBVLUPCQSAGE-UHFFFAOYSA-N
• INCHI: 1S/C21H20ClF3N4O2/c1-20(2,3)18(30)26-11-12-4-9-16(22)15(10-12)17-27-19(31)29(28-17)14-7-5-13(6-8-14)21(23,24)25/h4-10H,11H2,1-3H3,(H,26,30)(H,27,28,31)
• Isómeros SMILES: CC(C)(C)C(=O)NCC1=CC(=C(C=C1)Cl)C2=NN(C(=O)N2)C3=CC=C(C=C3)C(F)(F)F
• PubChem CID: 136246033

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Triazoles
        • Level5 Triazolones
          • Level6 Aryl 1,2,4-triazolones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Triazolones
• Direct Parent: Aryl 1,2,4-triazolones
• Alternative Parents: Phenyl-1,2,4-triazoles Trifluoromethylbenzenes Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl 1,2,4-triazol-3-one - Phenyl-1,2,4-triazole - Phenyltriazole - Trifluoromethylbenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Alkyl halide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group.
• 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)

PTGES Tchem Prostaglandin E synthase (0 Activities)

Discover Target: PTGES

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