MRS2957 - Moligand™ , Agonist of P2Y 6 receptor, CAS No.1228271-30-4, Agonist of P2Y 6 receptor

CAS: 1228271-30-4 Cat. No.: M612061

GRADE & PURITY Moligand™

Synonyms

MRS 2957

Storage

Room temperature

Specifications

Synonyms

MRS 2957

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of P2Y 6 receptor

Names and Identifiers

• Canonical Smiles: CO/N=c\1/ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@@H]([C@@H]1O)O)COP(=O)(OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@H]([C@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O
• InChIKey: SIKKMGJHOOQSAP-AOUMTEFLSA-N
• INCHI: 1S/C19H28N5O20P3/c1-38-22-10-2-4-23(18(30)20-10)16-14(28)12(26)8(41-16)6-39-45(32,33)43-47(36,37)44-46(34,35)40-7-9-13(27)15(29)17(42-9)24-5-3-11(25)21-19(24)31/h2-5,8-9,12-17,26-29H,6-7H2,1H3,(H,32,33)(H,34,35)(H,36,37)(H,20,22,30)(H,21,25,31)/t8-,9-,12+,13+,14+,15+,16-,17-/m1/s1
• Isomeric SMILES: CONC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@@H]([C@@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O
• Reaxy-Rn: 29423911
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29423911&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class (5'->5')-dinucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: (5'->5')-dinucleotides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: (5'->5')-dinucleotides
• Alternative Parents: Pyrimidine ribonucleoside triphosphates Pentose phosphates Glycosylamines Monosaccharide phosphates Monoalkyl phosphates Pyrimidones Hydropyrimidines Imidolactams Vinylogous amides Heteroaromatic compounds Oxolanes Secondary alcohols Ureas Lactams N-organohydroxylamines Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: (5'->5')-dinucleotide - Pyrimidine ribonucleoside triphosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pyrimidone - Monoalkyl phosphate - Hydropyrimidine - Monosaccharide - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Imidolactam - Vinylogous amide - Heteroaromatic compound - Oxolane - Lactam - Urea - Secondary alcohol - Azacycle - Organoheterocyclic compound - N-organohydroxylamine - Oxacycle - Organic oxygen compound - Alcohol - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as (5'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (5'->5')-phosphodiester linkage.
• 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)

P2RY6 Tchem P2Y purinoceptor 6 (1 Activities)

Discover Target: P2RY6

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