PSB1114 - Moligand™ , Agonist of P2Y 2 receptor, CAS No.P612985, Agonist of P2Y 2 receptor

CAS: P612985 Cat. No.: P612985 PubChem CID: 52952605

QUALITÄT & REINHEIT Moligand™

Synonyms

PSB 1114;PSB-1114

Storage

Room temperature

Spezifikationen

Synonyme

PSB 1114;PSB-1114

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Agonist of P2Y 2 receptor

Namen und Kennungen

Kanonisches Lächeln

O[C@@H]1[C@@H](COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O)O[C@H]([C@@H]1O)n1ccc(=S)[nH]c1=O

IUPAC Name

({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid

InChIKey

DFGBPSGNGNHNQM-XVFCMESISA-N

INCHI

1S/C10H15F2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(15)7(16)8(26-4)14-2-1-5(31)13-9(14)17/h1-2,4,6-8,15-16H,3H2,(H,21,22)(H,23,24)(H,13,17,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1

Isomere SMILES

C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O)O

PubChem CID

52952605

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Ebene5 Monosaccharides
          • Ebene6 Pentoses
            • Ebene7 Pentose phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides - Pentoses
• Direct Parent: Pentose phosphates
• Alternative Parents: Glycosylamines Monosaccharide phosphates Bisphosphonates Pyrimidones Pyrimidinethiones Monoalkyl phosphates Hydropyrimidines Thiolactams Heteroaromatic compounds Oxolanes Organic phosphonic acids Ureas Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides Organofluorides Organonitrogen compounds Organophosphorus compounds Organosulfur compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Bisphosphonate - Monoalkyl phosphate - Pyrimidone - Pyrimidinethione - Hydropyrimidine - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Pyrimidine - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Oxolane - Thiolactam - Secondary alcohol - Urea - 1,2-diol - Organoheterocyclic compound - Oxacycle - Azacycle - Alcohol - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alkyl halide - Organosulfur compound - Alkyl fluoride - Organophosphorus compound - Organofluoride - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
• 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

Zugehörige Ziele (menschlich)

P2RY2 Tclin P2Y purinoceptor 2 (1 Activities)

Discover Target: P2RY2

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Discover Target: P2RY4

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Wirkungsmechanismen