evodenoson - Moligand™ , Adenosine A2a receptor agonist, CAS No.844873-47-8, Adenosine A2a receptor agonist

CAS: 844873-47-8 Cat. No.: E610230 Fórmula: C₂₃H₂₉N₇O₆ Peso molecular: 499.5 PubChem CID: 11627443

GRADE & PURITY Moligand™

Synonyms

ATL 313 | Evodenoson (USAN) | 1-PIPERIDINECARBOXYLIC ACID, 4-(3-(6-AMINO-9-(N-CYCLOPROPYL-.BETA.-DRIBOFURANURONAMIDOSYL)- 9H-PURIN-2-YL)-2-PROPYN-1-YL)-, METHYL ESTER | DE-112 | AKOS040751756 | methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl

Storage

Room temperature

Specifications

Sinónimos

ATL 313 | Evodenoson (USAN) | 1-PIPERIDINECARBOXYLIC ACID, 4-(3-(6-AMINO-9-(N-CYCLOPROPYL-.BETA.-DRIBOFURANURONAMIDOSYL)- 9H-PURIN-2-YL)-2-PROPYN-1-YL)-, METHYL ESTER | DE-112 | AKOS040751756 | methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

AGONIST

Mecanismo de ação

Adenosine A2a receptor agonist

Nomes e identificadores

• Sorrisos canónicos: COC(=O)N1CCC(CC1)CC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NC1CC1
• IUPAC Name: methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]piperidine-1-carboxylate
• InChIKey: SQJXTUJMBYVDBB-RQXXJAGISA-N
• INCHI: 1S/C23H29N7O6/c1-35-23(34)29-9-7-12(8-10-29)3-2-4-14-27-19(24)15-20(28-14)30(11-25-15)22-17(32)16(31)18(36-22)21(33)26-13-5-6-13/h11-13,16-18,22,31-32H,3,5-10H2,1H3,(H,26,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1
• SMILES isoméricas: COC(=O)N1CCC(CC1)CC#CC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)C(=O)NC5CC5)O)O)N
• PubChem CID: 11627443
• Peso molecular: 499.5

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: Glycosylamines 6-aminopurines Piperidinecarboxylic acids Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Oxolanes Methylcarbamates Secondary carboxylic acid amides 1,2-diols Secondary alcohols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary amines Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Imidazopyrimidine - Piperidinecarboxylic acid - Purine - Aminopyrimidine - N-substituted imidazole - Piperidine - Pyrimidine - Imidolactam - Carbamic acid ester - Azole - Imidazole - Oxolane - Heteroaromatic compound - Methylcarbamate - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - 1,2-diol - Azacycle - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organic nitrogen compound - Primary amine - Organic oxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - 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)

ADORA2A Tclin Adenosine receptor A2a (1 Activities)

Discover Target: ADORA2A

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 499.500 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 499.218 Da
• Monoisotopic Mass: 499.218 Da
• Topological Polar Surface Area: 178.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 898.000
• 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

Perguntas frequentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 844873-47-8, the molecular formula is C23H29N7O6, and the molecular weight is 499.5 g/mol. InChIKey SQJXTUJMBYVDBB-RQXXJAGISA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.