binodenoson - Moligand™, ≥95% , Agonist of A 1 receptor;Agonist of A 2A receptor;Agonist of A 2B receptor;Agonist of A 3 receptor, CAS No.144348-08-3, Agonist of A 1 receptor;Agonist of A 2A receptor;Agonist of A 2B receptor;Agonist of A 3 receptor

CAS: 144348-08-3 Cat. No.: B608093 分子式: C₁₇H₂₅N₇O₄ 分子量: 391.42 PubChem CID: 9576912

グレード＆純度 Moligand™, ≥95%

Synonyms

Wrc 0470 | MRE-0470 | 2-(cyclohexylmethylidenehydrazino)adenos

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Binodenoson (MRE-0470) is a potent and selective A2A adenosine receptor agonist (KD=270 nM). Binodenoson is being developed as a short-acting coronary vasodilator as an adjunct to radiotracers for use in myocardial stress imaging.

仕様

同義語

Wrc 0470 | MRE-0470 | 2-(cyclohexylmethylidenehydrazino)adenos

仕様と純度

Moligand™, ≥95%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of A 1 receptor;Agonist of A 2A receptor;Agonist of A 2B receptor;Agonist of A 3 receptor

純度

≥95%

名前と識別子

パブケム・シド

528768657

カノニカル・スマイル

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=C/C1CCCCC1)nc2N

IUPAC Name

(2R,3R,4S,5R)-2-[6-amino-2-((2E)-2-(cyclohexylmethylidene)hydrazinyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

InChIKey

XJFMHMFFBSOEPR-DNZQAUTHSA-N

INCHI

1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1

異性体SMILES

C1CCC(CC1)/C=N/NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N

PubChem CID

9576912

分子量

391.42

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 分類: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: Glycosylamines 6-aminopurines Pentoses Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Hydrazones Azacyclic compounds Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Primary amines Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Purine - Imidazopyrimidine - Aminopyrimidine - N-substituted imidazole - Monosaccharide - Pyrimidine - Imidolactam - Imidazole - Azole - Tetrahydrofuran - Heteroaromatic compound - Secondary alcohol - Oxacycle - Hydrazone - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Primary alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: 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

関連ターゲット（人間）

ADORA2A Tclin Adenosine receptor A2a (2 Activities)

Discover Target: ADORA2A

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

ADORA2B Tclin Adenosine receptor A2b (1 Activities)

Discover Target: ADORA2B

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

ADORA1 Tclin Adenosine receptor A1 (1 Activities)

Discover Target: ADORA1

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

ADORA3 Tchem Adenosine receptor A3 (2 Activities)

Discover Target: ADORA3

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

化学的性質と物理的性質

• 分子量: 391.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 391.197 Da
• Monoisotopic Mass: 391.197 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 550.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1