3-phenacyl-UDP - Moligand™ , Agonist of P2Y 6 receptor, CAS No.P607171, Agonist of P2Y 6 receptor

CAS: P607171 Cat. No.: P607171 PubChem CID: 11994011

GRADE & PURITY Moligand™

Synonyms

phenacyl-UDP

Storage

Room temperature

Specifications

Synonymes

phenacyl-UDP

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of P2Y 6 receptor

Noms et identifiants

Sourires canoniques

O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)n(c1=O)CC(=O)c1ccccc1)COP(=O)(OP(=O)(O)O)O

IUPAC Name

[(2R,3S,4R,5R)-5-[2,4-dioxo-3-(2-oxo-2-phenylethyl)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

InChIKey

SEUHNFHNNANEAJ-DTZQCDIJSA-N

INCHI

1S/C17H20N2O13P2/c20-11(10-4-2-1-3-5-10)8-19-13(21)6-7-18(17(19)24)16-15(23)14(22)12(31-16)9-30-34(28,29)32-33(25,26)27/h1-7,12,14-16,22-23H,8-9H2,(H,28,29)(H2,25,26,27)/t12-,14-,15-,16-/m1/s1

Isomères SMILES

C1=CC=C(C=C1)C(=O)CN2C(=O)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O

PubChem CID

11994011

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Pyrimidine nucleotides
      • Subclass Pyrimidine ribonucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Pyrimidine nucleotides
• Subclass: Pyrimidine ribonucleotides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine ribonucleoside diphosphates
• Alternative Parents: Pentose phosphates Alkyl-phenylketones Glycosylamines Monosaccharide phosphates Organic pyrophosphates Aryl alkyl ketones Benzoyl derivatives Pyrimidones Monoalkyl phosphates Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds 1,2-diols Lactams Ureas Secondary alcohols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine ribonucleoside diphosphate - Pentose phosphate - Pentose-5-phosphate - Alkyl-phenylketone - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Pyrimidone - Monoalkyl phosphate - Organic phosphoric acid derivative - Monosaccharide - Phosphoric acid ester - Alkyl phosphate - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Hydropyrimidine - Oxolane - Heteroaromatic compound - Vinylogous amide - Urea - Secondary alcohol - Ketone - Lactam - 1,2-diol - Oxacycle - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety.
• 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

Cibles associées (humaines)

P2RY6 Tchem P2Y purinoceptor 6 (3 Activities)

Discover Target: P2RY6

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

P2RY6 Tchem Pyrimidinergic receptor P2Y6 (717 Activities)

Discover Target: P2RY6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

P2RY4 Tchem Pyrimidinergic receptor P2Y4 (598 Activities)

Discover Target: P2RY4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 522.299 g/mol
• XLogP3: -3.500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 522.044 Da
• Monoisotopic Mass: 522.044 Da
• Topological Polar Surface Area: 221.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 930.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is P607171. InChIKey SEUHNFHNNANEAJ-DTZQCDIJSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.