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MRS4062 , CAS No.M612063, Agonist of P2Y 4 receptor

COA

Grade & Purity:

Moligand™

PubChem CID: 53262902

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Item Number

M612063

Grouped product items
SKU	Size	Availability	Price	Qty
M612063-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
M612063-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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P2Y4 receptor Agonist (9)

Basic Description

Synonyms	MRS 4062;MRS-4062;N⁴-phenylpropoxycytidine-5'-triphosphate
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Agonist of P2Y 4 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
  - Class Pyrimidine nucleotides
    - Subclass Pyrimidine ribonucleotides

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Class	Pyrimidine nucleotides
Subclass	Pyrimidine ribonucleotides
Intermediate Tree Nodes	Not available
Direct Parent	Pyrimidine ribonucleoside triphosphates
Alternative Parents	Pentose phosphates Glycosylamines Monosaccharide phosphates Pyrimidones Monoalkyl phosphates Benzene and substituted derivatives Hydropyrimidines Imidolactams Oxolanes Heteroaromatic compounds 1,2-diols Secondary alcohols Oxacyclic compounds Azacyclic compounds N-organohydroxylamines Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine ribonucleoside triphosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pyrimidone - Monoalkyl phosphate - Monocyclic benzene moiety - Hydropyrimidine - Monosaccharide - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Benzenoid - Imidolactam - Heteroaromatic compound - Oxolane - 1,2-diol - Secondary alcohol - Oxacycle - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidine ribonucleoside triphosphates. These are pyrimidine ribobucleotides with triphosphate group linked to the ribose moiety.
External Descriptors	Not available
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 (2 Activities)

Discover Target: P2RY4

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

P2RY2 Tclin Purinergic receptor P2Y2 (1109 Activities)

Discover Target: P2RY2

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

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	[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(3-phenylpropoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
INCHI	InChI=1S/C18H26N3O15P3/c22-15-13(11-33-38(28,29)36-39(30,31)35-37(25,26)27)34-17(16(15)23)21-9-8-14(19-18(21)24)20-32-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,13,15-17,22-23H,4,7,10-11H2,(H,28,29)(H,30,31)(H,19,20,24)(H2,25,26,27)/t13-,15-,16-,17-/m1/s1
InChIKey	FAYLMQPZASAIOS-MWQQHZPXSA-N
Smiles	O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc/c(=N/OCCCc2ccccc2)/[nH]c1=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
Isomeric SMILES	C1=CC=C(C=C1)CCCONC2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
PubChem CID	53262902

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