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Adenosine N1-oxide

CAT: 0804-HY-102082-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-102082-01Size:1 mg
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Description
Adenosine N1-oxide is an oral active anti-inflammatory agent, and can be isolated from royal jelly. Adenosine N1-oxide promotes osteogenic and adipocyte differentiation[1][2].
CAS Number
146-92-9
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/adenosine-n1-oxide.html
Purity
99.50
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N(C=N2)C3=C2C(N)=[N+]([O-])C=N3)O1
Molecular Formula
C10H13N5O5
Molecular Weight
283.24
References & Citations
[1]Kohno K, et al. Anti-inflammatory effects of adenosine N1-oxide. J Inflamm (Lond) . 2015;12 (1) :2. Published 2015 Jan 20. |[2]Ohashi E, et al. Adenosine N1-Oxide Exerts Anti-inflammatory Effects through the PI3K/Akt/GSK-3β Signaling Pathway and Promotes Osteogenic and Adipocyte Differentiation. Biol Pharm Bull. 2019;42 (6) :968-976.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

adenosine-N-oxide

See also: adenosine N1-oxide (annotation moved to).

CAS Number146-92-9
PubChem CID459896
IUPAC Name(2R,3R,4S,5R)-2-(1-hydroxy-6-iminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC10H13N5O5
Molecular Weight283.24
XLogP-1.5
Topological Polar Surface Area147
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity434
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN(C2=N)O
InChI
InChI=1S/C10H13N5O5/c11-8-5-9(13-3-15(8)19)14(2-12-5)10-7(18)6(17)4(1-16)20-10/h2-4,6-7,10-11,16-19H,1H2/t4-,6-,7-,10-/m1/s1
InChIKey
QHFLZHVITNUFMV-KQYNXXCUSA-N
Chemical Structure
2D Structure
2D structure of adenosine-N-oxide
CAS: 146-92-9
CID: 459896
Formula: C10H13N5O5
MW: 283.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.24
XLogP3-1.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass283.09166853
Monoisotopic Mass283.09166853
Topological Polar Surface Area147 Ų
Heavy Atom Count20
Formal Charge0
Complexity434
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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