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UTPγS , CAS No.79049-97-1, Agonist of P2Y 2 receptor;Agonist of P2Y 4 receptor
Basic Description
Synonyms
UTPgammaS
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of P2Y 2 receptor;Agonist of P2Y 4 receptor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Pyrimidine nucleotides
Subclass
Pyrimidine ribonucleotides
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidine ribonucleoside diphosphates
Alternative Parents
Pentose phosphates Glycosylamines Monosaccharide phosphates Organic pyrophosphates Monoalkyl phosphates Pyrimidones Organic thiophosphoric acids and derivatives Hydropyrimidines Oxolanes Heteroaromatic compounds Vinylogous amides Ureas 1,2-diols Lactams Secondary alcohols Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine ribonucleoside diphosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Pyrimidone - Monoalkyl phosphate - Hydropyrimidine - Monosaccharide - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Organic thiophosphoric acid or derivatives - Vinylogous amide - Oxolane - Heteroaromatic compound - Urea - 1,2-diol - Lactam - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen 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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(dihydroxyphosphinothioyloxy-hydroxyphosphoryl) [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
INCHI
InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-22-26(16,17)24-27(18,19)25-28(20,21)29/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,18,19)(H,10,12,15)(H2,20,21,29)/t4-,6-,7-,8-/m1/s1
InChIKey
DUDALCZPYHIGIR-XVFCMESISA-N
Smiles
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=S)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Isomeric SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O
PubChem CID
5311494
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
500.210 g/mol
XLogP3
-4.100
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
15
Rotatable Bond Count
8
Exact Mass
499.946 Da
Monoisotopic Mass
499.946 Da
Topological Polar Surface Area
274.000 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
844.000
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
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