MRS2927 - Moligand™ , Agonist of P2Y 4 receptor, CAS No.M612059, Agonist of P2Y 4 receptor

CAS: M612059 Cat. No.: M612059 PubChem CID: 91827350

GRADE & PURITY Moligand™

Synonyms

compound 34;Up₄ -[1]3'-deoxy-3'-fluoroglucose

Storage

Room temperature

Specifications

Synonyms

compound 34;Up₄ -[1]3'-deoxy-3'-fluoroglucose

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of P2Y 4 receptor

Names and Identifiers

• Canonical Smiles: OC[C@H]1O[C@H](OP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)C2C=CC(=O)NC2=O)O)O)O)O)[C@@H]([C@H]([C@@H]1O)F)O
• InChIKey: SMNRFWMNPDABKZ-WVALLCKVSA-N
• INCHI: 1S/C16H26FNO22P4/c17-9-10(21)6(3-19)36-16(12(9)23)37-42(28,29)39-44(32,33)40-43(30,31)38-41(26,27)34-4-7-11(22)13(24)14(35-7)5-1-2-8(20)18-15(5)25/h1-2,5-7,9-14,16,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,18,20,25)/t5?,6-,7-,9+,10-,11-,12-,13-,14+,16-/m1/s1
• Isomeric SMILES: C1=CC(=O)NC(=O)C1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)F)O)O)O
• PubChem CID: 91827350

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Pentoses
            • Level7 Pentose phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides - Pentoses
• Direct Parent: Pentose phosphates
• Alternative Parents: C-glycosyl compounds Monosaccharide phosphates Monoalkyl phosphates Hydropyridines Oxanes Dicarboximides Oxolanes N-unsubstituted carboxylic acid imides Secondary alcohols Fluorohydrins Oxacyclic compounds Azacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pentose phosphate - Pentose-5-phosphate - C-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Monoalkyl phosphate - Hydropyridine - Organic phosphoric acid derivative - Oxane - Alkyl phosphate - Phosphoric acid ester - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Oxolane - Secondary alcohol - Fluorohydrin - Halohydrin - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Oxacycle - Organofluoride - Primary alcohol - Alkyl halide - Alcohol - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Alkyl fluoride - Organohalogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
• 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)

P2RY4 Tchem P2Y purinoceptor 4 (1 Activities)

Discover Target: P2RY4

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