[(E)-hept-2-enyl] 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate - Moligand™ , Inhibitor of Fatty acid transport protein 4, CAS No.E608863, Inhibitor of Fatty acid transport protein 4

CAS: E608863 Cat. No.: E608863 PubChem CID: 44413322

GRADE & PURITY Moligand™

Synonyms

compound 1l

Storage

Room temperature

Specifications

Synonyms

compound 1l

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Fatty acid transport protein 4

Names and Identifiers

• Canonical Smiles: CCCC/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)[N+](=O)[O-]
• IUPAC Name: [(E)-hept-2-enyl] 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• InChIKey: BEXZJJQVPWJPOA-VOTSOKGWSA-N
• INCHI: 1S/C19H23N3O5/c1-3-4-5-6-7-12-27-18(23)16-13(2)20-19(24)21-17(16)14-8-10-15(11-9-14)22(25)26/h6-11,17H,3-5,12H2,1-2H3,(H2,20,21,24)/b7-6+
• Isomeric SMILES: CCCC/C=C/COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C
• PubChem CID: 44413322

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Hydropyrimidines
          • Level6 Hydropyrimidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Hydropyrimidines
• Direct Parent: Hydropyrimidine carboxylic acids and derivatives
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Pyrimidones Vinylogous amides Enoate esters Ureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organonitrogen compounds Carbonyl compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydropyrimidine carboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Organic nitro compound - Carboxylic acid ester - Urea - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid 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

Associated Targets(Human)

SLC27A4 Tchem Long-chain fatty acid transport protein 4 (2 Activities)

Discover Target: SLC27A4

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