(N)methanocarba-UTP - Moligand™ , Agonist of P2Y 4 receptor, CAS No.N612322, Agonist of P2Y 4 receptor

CAS: N612322 Cat. No.: N612322 PubChem CID: 44309485

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of P2Y 4 receptor

Names and Identifiers

• Canonical Smiles: OC1C(n2ccc(=O)[nH]c2=O)C2C(C1O)(C2)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
• IUPAC Name: ({[({[4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3-dihydroxybicyclo[3.1.0]hexan-1-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
• InChIKey: XWFVJTIKQWQNID-UHFFFAOYSA-N
• INCHI: 1S/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)
• Isomeric SMILES: C1C2C1(C(C(C2N3C=CC(=O)NC3=O)O)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
• PubChem CID: 44309485

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Nucleoside and nucleotide analogues
      • Subclass Cyclopentyl nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Nucleoside and nucleotide analogues
• Subclass: Cyclopentyl nucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclopentyl nucleosides
• Alternative Parents: Pyrimidones Monoalkyl phosphates Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols Lactams Cyclic alcohols and derivatives 1,2-diols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cyclopentyl nucleoside - Monoalkyl phosphate - Pyrimidone - Alkyl phosphate - Pyrimidine - Phosphoric acid ester - Organic phosphoric acid derivative - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Cyclic alcohol - Urea - Secondary alcohol - Lactam - 1,2-diol - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclopentyl nucleosides. These are nucleoside analogues with a structure that consists of a cyclobutane that is substituted a the 1-position with a hydroxyl group and at the 2- or the 3- position with either a purine or pyrimidine base.
• 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)