N-methyl LTC₄ - Moligand™ , Agonist of CysLT 1 receptor;Agonist of CysLT 2 receptor, CAS No.N612325, Agonist of CysLT 1 receptor;Agonist of CysLT 2 receptor

CAS: N612325 Cat. No.: N612325 PubChem CID: 73755185

GRADE & PURITY Moligand™

Synonyms

N-methyl-leukotriene C₄

Storage

Room temperature

Specifications

Synonyms

N-methyl-leukotriene C₄

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of CysLT 1 receptor;Agonist of CysLT 2 receptor

Names and Identifiers

Canonical Smiles

CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)NC

IUPAC Name

(5S,6R,7E,9E,11Z,14Z)-6-({2-[4-carboxy-4-(methylamino)butanamido]-2-[(carboxymethyl)carbamoyl]ethyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid

InChIKey

FPLBRCJNODNRQZ-LZHUJPGBSA-N

INCHI

1S/C31H49N3O9S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(25(35)16-15-18-28(37)38)44-22-24(30(41)33-21-29(39)40)34-27(36)20-19-23(32-2)31(42)43/h7-8,10-14,17,23-26,32,35H,3-6,9,15-16,18-22H2,1-2H3,(H,33,41)(H,34,36)(H,37,38)(H,39,40)(H,42,43)/b8-7-,11-10-,13-12+,17-14+/t23?,24?,25-,26+/m0/s1

Isomeric SMILES

CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)NC

PubChem CID

73755185

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Gamma-glutamyl peptides Leukotrienes Hydroxyeicosatetraenoic acids Glutamine and derivatives N-acyl-alpha amino acids Alpha amino acid amides Cysteine and derivatives Alpha amino acids Tricarboxylic acids and derivatives Thia fatty acids Hydroxy fatty acids N-acyl amines Secondary alcohols Secondary carboxylic acid amides Amino acids Dialkylthioethers Dialkylamines Carboxylic acids Sulfenyl compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-oligopeptide - Gamma-glutamyl alpha peptide - Leukotriene - Hydroxyeicosatetraenoic acid - Eicosanoid - Glutamine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid - Tricarboxylic acid or derivatives - Thia fatty acid - Hydroxy fatty acid - Fatty amide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Amino acid - Amino acid or derivatives - Dialkylthioether - Sulfenyl compound - Carboxylic acid - Secondary aliphatic amine - Thioether - Secondary amine - Organic nitrogen compound - Carbonyl group - Alcohol - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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)

CYSLTR2 Tchem Cysteinyl leukotriene receptor 2 (2 Activities)

Discover Target: CYSLTR2

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

CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (1 Activities)

Discover Target: CYSLTR1

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