tecadenoson - Moligand™ , Agonist of A 1 receptor;Agonist of A 2A receptor, CAS No.204512-90-3, Agonist of A 1 receptor;Agonist of A 2A receptor

CAS: 204512-90-3 Cat. No.: T614364 Peso molecular: 337.33 PubChem CID: 158795

GRADE & PURITY Moligand™

Synonyms

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-tetrahydrofuran-3-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol | DB04954 | (2R,3R,4S,5R)-2-Hydroxymethyl)-5-(6-((3R)-(tetrahydrofuran-3-ylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol | Adenosine, N-(3R)-tetra

Storage

Room temperature

Specifications

Sinónimos

(2R, 3S, 4R, 5R)-2-(hydroxymethyl)-5-(6-((R)-tetrahydrofuran-3-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3, 4-diol | DB04954 | (2R, 3R, 4S, 5R)-2-Hydroxymethyl)-5-(6-((3R)-(tetrahydrofuran-3-ylamino)-9H-purin-9-yl)tetrahydrofuran-3, 4-diol | Adenosine, N-(3R)-tetra

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of A 1 receptor;Agonist of A 2A receptor

Nombres e identificadores

• Sonrisas canónicas: C1COCC1NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O
• IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]oxolane-3,4-diol
• InChIKey: OESBDSFYJMDRJY-BAYCTPFLSA-N
• INCHI: 1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1
• Isómeros SMILES: C1COC[C@@H]1NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
• PubChem CID: 158795
• Peso molecular: 337.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: 6-alkylaminopurines Glycosylamines Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Monosaccharides N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Imidolactam - Pyrimidine - Monosaccharide - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Tetrahydrofuran - Secondary alcohol - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Secondary amine - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic nitrogen compound - Primary alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl 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)

ADORA2A Tclin Adenosine receptor A2a (0 Activities)

Discover Target: ADORA2A

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

ADORA1 Tclin Adenosine receptor A1 (4 Activities)

Discover Target: ADORA1

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

Propiedades químicas y físicas

• Peso molecular: 337.330 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 337.139 Da
• Monoisotopic Mass: 337.139 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 446.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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