2-Methoxy-5-(2,4-dioxo-5-thiazolidinyl)-N-((4-(trifluoromethyl)phenyl)methyl)benzamide , Peroxisome proliferator-activated receptor alpha agonist, CAS No.934017-32-0, Peroxisome proliferator-activated receptor alpha agonist

CAS: 934017-32-0 Cat. No.: M671231 Molecular Weight: 422.4 PubChem CID: 56842109

Synonyms

MK 0767 | DB12055 | (+-)-5-((2,4-Dioxothiazolidin-5-yl)methyl)-2-methoxy-N-(((4-trifluoromethyl)phenyl)methyl)benzamide | Y180U02GSB | CHEMBL4297404 | UNII-Y180U02GSB | ORZMUVMQJPGFOM-UHFFFAOYSA-N | 2-Methoxy-5-(2,4-dioxo-5-thiazolidinyl)-N-((4-(trifluoro

Storage

Room temperature

Specifications

Synonyms

MK 0767 | DB12055 | (+-)-5-((2, 4-Dioxothiazolidin-5-yl)methyl)-2-methoxy-N-(((4-trifluoromethyl)phenyl)methyl)benzamide | Y180U02GSB | CHEMBL4297404 | UNII-Y180U02GSB | ORZMUVMQJPGFOM-UHFFFAOYSA-N | 2-Methoxy-5-(2, 4-dioxo-5-thiazolidinyl)-N-((4-(trifluoro

Storage

Room temperature

Action Type

AGONIST

Mechanism of action

Peroxisome proliferator-activated receptor alpha agonist

Product Properties

• ALogP: 3.1

Names and Identifiers

• Canonical Smiles: COC1=C(C=C(C=C1)CC2C(=O)NC(=O)O2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F
• IUPAC Name: 5-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
• InChIKey: ORZMUVMQJPGFOM-UHFFFAOYSA-N
• INCHI: 1S/C20H17F3N2O5/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28)
• Isomeric SMILES: COC1=C(C=C(C=C1)CC2C(=O)NC(=O)O2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F
• PubChem CID: 56842109
• Molecular Weight: 422.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 N-benzylbenzamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: N-benzylbenzamides
• Alternative Parents: Trifluoromethylbenzenes Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Oxazolidinediones Dicarboximides Carbamate esters Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylbenzamide - Trifluoromethylbenzene - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Oxazolidinedione - Oxazolidinone - Dicarboximide - Oxazolidine - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl 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