MRS2802 - Moligand™ , Agonist of P2Y 14 receptor, CAS No.M612057, Agonist of P2Y 14 receptor

CAS: M612057 Cat. No.: M612057 PubChem CID: 91827349

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of P2Y 14 receptor

Names and Identifiers

• Canonical Smiles: O[C@H]1[C@@H](COP(=O)(C(P(=O)(O)O)(F)F)O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=O
• InChIKey: JKJYHYKRGKKASI-YDKYIBAVSA-N
• INCHI: 1S/C10H14F2N2O11P2/c11-10(12,26(19,20)21)27(22,23)24-3-4-6(16)7(17)8(25-4)14-2-1-5(15)13-9(14)18/h1-2,4,6-8,16-17H,3H2,(H,22,23)(H,13,15,18)(H2,19,20,21)/t4-,6+,7+,8-/m1/s1
• Isomeric SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@H]([C@H](O2)COP(=O)(C(F)(F)P(=O)(O)O)O)O)O
• PubChem CID: 91827349

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Glycosylamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Glycosylamines
• Alternative Parents: Pentoses Bisphosphonates Pyrimidones Phosphonic acid esters Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds Organic phosphonic acids Ureas Secondary alcohols 1,2-diols Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organophosphorus compounds Alkyl fluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-glycosyl compound - Pentose monosaccharide - Bisphosphonate - Pyrimidone - Hydropyrimidine - Monosaccharide - Phosphonic acid ester - Pyrimidine - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Oxolane - Vinylogous amide - 1,2-diol - Lactam - Urea - Secondary alcohol - Azacycle - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organophosphorus compound - Alkyl fluoride - Alkyl halide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as glycosylamines. These are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
• 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)

P2RY14 Tchem P2Y purinoceptor 14 (1 Activities)

Discover Target: P2RY14

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