Trabodenoson - Moligand™, ≥97% , Adenosine A1 receptor agonist, CAS No.871108-05-3, Adenosine A1 receptor agonist

CAS: 871108-05-3 Cat. No.: T177798 Fórmula: C₁₅H₂₀N₆O₆ Peso molecular: 380.36 PubChem CID: 11610599

GRAU & PUREZA Moligand™, ≥97%

Synonyms

MFCD28502082 | AKOS040754236 | BDBM108255 | Trabodenoson [USAN:INN] | AS-52370 | PJ-875 | ((2r,3s,4r,5r)-5-(6-(cyclopentylamino)-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl nitrate | INNO-8875 | SY017820 | US8609833, 86 | NCGC00174864-01 | BDB

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Trabodenoson (INO-8875), an adenosine mimetic, is a highly selective Adenosine A1 receptor agonist. Trabodenoson (INO-8875) is used in the study for Primary Open-Angle Glaucoma

Especificações

Sinónimos

MFCD28502082 | AKOS040754236 | BDBM108255 | Trabodenoson [USAN:INN] | AS-52370 | PJ-875 | ((2r,3s,4r,5r)-5-(6-(cyclopentylamino)-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl nitrate | INNO-8875 | SY017820 | US8609833, 86 | NCGC00174864-01 | BDB

Especificações e pureza

Moligand™, ≥97%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

AGONIST

Mecanismo de ação

Adenosine A1 receptor agonist

Pureza

≥97%

Propriedades do produto

ALogP

1.3

Nomes e identificadores

Pubchem Sid

528772043

Sorrisos canónicos

C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO[N+](=O)[O-])O)O

IUPAC Name

[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl nitrate

InChIKey

AQLVRTWKJDTWQQ-SDBHATRESA-N

INCHI

1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1

SMILES isoméricas

C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[N+](=O)[O-])O)O

PubChem CID

11610599

Peso molecular

380.36

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: 6-alkylaminopurines Glycosylamines Pentoses Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Tetrahydrofurans Alkyl nitrates Heteroaromatic compounds 1,2-diols Secondary alcohols Organic nitro compounds Organic nitric acids and derivatives Azacyclic compounds Oxacyclic compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-alkylaminopurine - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monosaccharide - N-substituted imidazole - Pyrimidine - Imidolactam - Azole - Imidazole - Organic nitrate - Heteroaromatic compound - Tetrahydrofuran - Alkyl nitrate - Organic nitro compound - Secondary alcohol - Organic nitric acid or derivatives - 1,2-diol - Secondary amine - Azacycle - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic zwitterion - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Alvos associados (humanos)

ADORA1 Tclin Adenosine receptor A1 (4 Activities)

Discover Target: ADORA1

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

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

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

ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

Discover Target: ADORA3

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 380.360 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 380.144 Da
• Monoisotopic Mass: 380.144 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 531.000
• 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