A2P5P - Moligand™ , Antagonist of P2Y 1 receptor, CAS No.3805-37-6, Antagonist of P2Y 1 receptor

CAS: 3805-37-6 Cat. No.: A607286 PubChem CID: 440141

GRADE & PURITY Moligand™

Synonyms

Adenosine 2',5'-diphosphate sodium salt | DTXSID70959011 | 1o0o | [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate | Adenosine 2',5'-bisphosphate | 2,5-ADP | 1hi3 | DB02098 | SCHEMBL1122523 | [(2R,3R,4

Storage

Room temperature

Specifications

Sinónimos

Adenosine 2', 5'-diphosphate sodium salt | DTXSID70959011 | 1o0o | [(2R, 3R, 4R, 5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate | Adenosine 2', 5'-bisphosphate | 2, 5-ADP | 1hi3 | DB02098 | SCHEMBL1122523 | [(2R, 3R, 4

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of P2Y 1 receptor

Nombres e identificadores

• Sonrisas canónicas: O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@@H]1OP(=O)(O)O)n1cnc2c1ncnc2N
• IUPAC Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
• InChIKey: AEOBEOJCBAYXBA-KQYNXXCUSA-N
• INCHI: 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
• Isómeros SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N
• PubChem CID: 440141

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase Purine nucleotides
      • Subclass Purine ribonucleotides
        • Level5 Purine ribonucleoside bisphosphates
          • Level6 Purine ribonucleoside 2',5'-bisphosphates

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Purine nucleotides
• Subclass: Purine ribonucleotides
• Intermediate Tree Nodes: Purine ribonucleoside bisphosphates
• Direct Parent: Purine ribonucleoside 2',5'-bisphosphates
• Alternative Parents: Purine ribonucleoside monophosphates Pentose phosphates Glycosylamines 6-aminopurines Monosaccharide phosphates Aminopyrimidines and derivatives Monoalkyl phosphates Imidolactams N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Primary amines Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine ribonucleoside 2',5'-bisphosphate - Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Alkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Tetrahydrofuran - Secondary alcohol - Azacycle - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Primary amine - Organic nitrogen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as purine ribonucleoside 2',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to 2' and 5' hydroxyl groups of 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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

P2RY1 Tchem P2Y purinoceptor 1 (1 Activities)

Discover Target: P2RY1

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

Objetivos asociados (no humanos)

panE Ketopantoate reductase (28 Activities)

Discover Target: panE

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 427.200 g/mol
• XLogP3: -4.600
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 427.029 Da
• Monoisotopic Mass: 427.029 Da
• Topological Polar Surface Area: 233.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 631.000
• 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