Regrelor disodium , Purinergic receptor P2Y12 antagonist, CAS No.676251-22-2, Purinergic receptor P2Y12 antagonist

CAS: 676251-22-2 Cat. No.: R671096 Peso molecular: 576.4 PubChem CID: 11273178

Synonyms

Regrelor disodium | sodium ((2S,3aR,4R,6R,6aR)-6-(6-(3-ethylureido)-9H-purin-9-yl)-2-((E)-styryl)tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl phosphate | UNII-6MU6U599QZ | D08983 | Disodium N-(ethylcarbamoyl)-2',3'-O-((1S,2E)-3-phenyl-2-propenylidene)-5'-

Storage

Room temperature

Specifications

Sinónimos

Regrelor disodium | sodium ((2S, 3aR, 4R, 6R, 6aR)-6-(6-(3-ethylureido)-9H-purin-9-yl)-2-((E)-styryl)tetrahydrofuro[3, 4-d][1, 3]dioxol-4-yl)methyl phosphate | UNII-6MU6U599QZ | D08983 | Disodium N-(ethylcarbamoyl)-2', 3'-O-((1S, 2E)-3-phenyl-2-propenylidene)-5'-

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

ANTAGONIST

Mecanismo de acción

Purinergic receptor P2Y12 antagonist

Nombres e identificadores

• Sonrisas canónicas: CCNC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C4C(C(O3)COP(=O)([O-])[O-])OC(O4)C=CC5=CC=CC=C5.[Na+].[Na+]
• IUPAC Name: disodium;[(2S,3aR,4R,6R,6aR)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phosphate
• InChIKey: MKQKPLQMNCXTJE-VEZQGTPESA-L
• INCHI: 1S/C22H25N6O8P.2Na/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13;;/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29);;/q;2*+1/p-2/b9-8+;;/t14-,15+,17-,18-,2
• Isómeros SMILES: CCNC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)([O-])[O-])O[C@@H](O4)/C=C/C5=CC=CC=C5.[Na+].[Na+]
• PubChem CID: 11273178
• Peso molecular: 576.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase Purine nucleotides
      • Subclass Purine ribonucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Purine nucleotides
• Subclass: Purine ribonucleotides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine ribonucleoside monophosphates
• Alternative Parents: Pentose phosphates Monosaccharide phosphates Purines and purine derivatives Styrenes Alkyl phosphates Pyrimidines and pyrimidine derivatives Imidolactams N-substituted imidazoles 1,3-dioxolanes Heteroaromatic compounds Oxolanes Ureas Oxacyclic compounds Acetals Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic sodium salts Organic zwitterions Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Monosaccharide phosphate - Imidazopyrimidine - Purine - Styrene - Monocyclic benzene moiety - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Benzenoid - Imidolactam - Heteroaromatic compound - Meta-dioxolane - Imidazole - Oxolane - Azole - Urea - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Acetal - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic zwitterion - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Organic sodium salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
• 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

Objetivos asociados (humanos)

P2RY12 Tclin P2Y purinoceptor 12 (1 Activities)

Discover Target: P2RY12

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

Mecanismos de acción