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Adenosine-13C10,15N5

CAT: 0804-HY-B0228S9-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0228S9-01Size:5 mg
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Description
Adenosine-13C10,15N5 is the 13C and 15N labeled Adenosine. Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[2][3].
CAS Number
202406-75-5
UNSPSC
12352005
Target
Apoptosis; Autophagy; Endogenous Metabolite; Isotope-Labeled Compounds; Nucleoside Antimetabolite/Analog
Related Pathways
Apoptosis; Autophagy; Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Cancer; Metabolic Disease
Purity
99.60
Solubility
DMSO : 33 mg/mL (ultrasonic)
Smiles
[15NH2][13C]1=[13C]([15N]=[13CH]2)[13C]([15N]2[13C@H]3[13C@H](O)[13C@H](O)[13C@@H]([13CH2]O)O3)=[15N][13CH]=[15N]1
Molecular Formula
13C10H13 15N5O4
Molecular Weight
282.13
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Borea PA, Gessi S, Merighi S, Vincenzi F, Varani K. Pharmacology of Adenosine Receptors: The State of the Art. Physiol Rev. 2018;98 (3) :1591-1625.|[3]Fredholm BB. Adenosine, an endogenous distress signal, modulates tissue damage and repair. Cell Death Differ. 200714 (7) :1315-1323.|[4]Zhou XT, et al. Inhibition of autophagy enhances adenosine induced apoptosis in human hepatoblastoma HepG2 cells. Oncol Rep. 201941 (2) :829-838.|[5]Eltzschig HK. Adenosine: an old drug newly discovered. Anesthesiology. 2009111 (4) :904-915.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Adenosine-13C10,15N5
CAS Number202406-75-5
PubChem CID123570113
IUPAC Name(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
Molecular FormulaC10H13N5O4
Molecular Weight282.14
XLogP-1.1
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity335
SMILES
[13CH]1=[15N][13C](=[13C]2[13C](=[15N]1)[15N]([13CH]=[15N]2)[13C@H]3[13C@@H]([13C@@H]([13C@H](O3)[13CH2]O)O)O)[15NH2]
InChI
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1
InChIKey
OIRDTQYFTABQOQ-IADJQYSOSA-N
Chemical Structure
2D Structure
2D structure of Adenosine-13C10,15N5
CAS: 202406-75-5
CID: 123570113
Formula: C10H13N5O4
MW: 282.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight282.14
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass282.11547674
Monoisotopic Mass282.11547674
Topological Polar Surface Area140 Ų
Heavy Atom Count19
Formal Charge0
Complexity335
Isotope Atom Count15
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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