N6-Cyclohexyladenosine - Moligand™, ≥98% , Agonist of A 1 receptor;Agonist of A 2A receptor;Agonist of A 2B receptor;Agonist of A 3 receptor, CAS No.36396-99-3, Agonist of A 1 receptor;Agonist of A 2A receptor;Agonist of A 2B receptor;Agonist of A 3 receptor

CAS: 36396-99-3 Cat. No.: N169925 Summenformel: C₁₆H₂₃N₅O₄ Molekulargewicht: 349.38

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-Cyclohexyladenosine | CHA

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

N-Cyclohexyladenosine | CHA

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Selective A 1 receptor agonist (EC 50 = 8.2 nM). Adenosine analogue; exerts anticonvulsant effects and protects against neuronal death.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

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

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508810988
• Kanonisches Lächeln: C1CCC(CC1)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O
• IUPAC Name: (2R,3R,4S,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• InChIKey: SZBULDQSDUXAPJ-XNIJJKJLSA-N
• INCHI: 1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
• Isomere SMILES: C1CCC(CC1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
• WGK Deutschland: 3
• Molekulargewicht: 349.38
• Reaxy-Rn: 24717370
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24717370&ln=

Taxonomic Classification

Taxonomy Tree

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

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

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ADORA2A Tclin Adenosine receptor A2a (2 Activities)

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

ADORA2B Tclin Adenosine receptor A2b (1 Activities)

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ADORA1 Tclin Adenosine receptor A1 (1 Activities)

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

ADORA3 Tchem Adenosine receptor A3 (2 Activities)

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

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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

ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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ADORA2B Tclin Adenosine A2b receptor (7672 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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ALB Tchem Serum albumin (2651 Activities)

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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Caco-2 (12174 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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MCF7 (126967 Activities)

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HEK293 (82097 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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PGK1 Tchem Phosphoglycerate kinase (287 Activities)

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ADORA1 Tclin Adenosine receptor (26 Activities)

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Rattus norvegicus (775804 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Adora2b Adenosine A2 receptor (1828 Activities)

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Adora2b Adenosine receptors; A1 & A2 (886 Activities)

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Adora1 Adenosine receptors; A1 & A2a (368 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive; Moisture sensitive; Heat sensitive
• Molekulargewicht: 349.380 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 349.175 Da
• Monoisotopic Mass: 349.175 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 452.000
• 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

Referenzen

1. Qiulan Liu, Xiaoqin Zou, Yang Yi, Ying Sun, Hongxun Wang, Xueyu Jiang, Kaidi Peng.  (2023)  Physicochemical and Functional Changes in Lotus Root Polysaccharide Associated with Noncovalent Binding of Polyphenols.  Foods,  12  (5): (1049).  [PMID:36900568] [10.3390/foods12051049]

2. Yu-Dong Shan, Song-Hai Wu, Yu-Le Wang, Cong Wang, Shao-Qi Zhi, Yong Liu, Xu Han.  (2023)  Selective Oxidation of Cyclohexane to Cyclohexanol/Cyclohexanone by Surface Peroxo Species on Cu-Mesoporous TiO2.  INORGANIC CHEMISTRY,      [PMID:36916853] [10.1021/acs.inorgchem.2c04196]