(2S)-2-{[5-(4-fluorophenyl)furan-2-yl]formamido}butanedioic acid - Moligand™ , Agonist of succinate receptor, CAS No.S608689, Agonist of succinate receptor

CAS: S608689 Cat. No.: S608689 PubChem CID: 41023370

GRADE & PURITY Moligand™

Synonyms

(5-(4-Fluorophenyl)furan-2-carbonyl)-L-aspartic acid | compound 130

Storage

Room temperature

Specifications

Synonyms

(5-(4-Fluorophenyl)furan-2-carbonyl)-L-aspartic acid | compound 130

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of succinate receptor

Names and Identifiers

• Canonical Smiles: O=C(c1ccc(o1)c1ccc(cc1)F)N[C@H](C(=O)O)CC(=O)O
• IUPAC Name: (2S)-2-{[5-(4-fluorophenyl)furan-2-yl]formamido}butanedioic acid
• InChIKey: DXDJHKUZMNAXTM-JTQLQIEISA-N
• INCHI: 1S/C15H12FNO6/c16-9-3-1-8(2-4-9)11-5-6-12(23-11)14(20)17-10(15(21)22)7-13(18)19/h1-6,10H,7H2,(H,17,20)(H,18,19)(H,21,22)/t10-/m0/s1
• Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(O2)C(=O)N[C@@H](CC(=O)O)C(=O)O)F
• PubChem CID: 41023370

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Aspartic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Aspartic acid and derivatives
• Alternative Parents: N-acyl-alpha amino acids Furoic acid and derivatives 2-heteroaryl carboxamides Fluorobenzenes Dicarboxylic acids and derivatives Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Carboxylic acids Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aspartic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 2-heteroaryl carboxamide - Furoic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Furan - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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)

SUCNR1 Tchem Succinate receptor 1 (1 Activities)

Discover Target: SUCNR1

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