Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
General Information |
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Catalog: BLP-012055 |
CAS: 188297-90-7 |
Molecular Formula: C7H5D3N4O2 |
Molecular Weight: 183.18 |
Chemical Structure |
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Description | Paraxanthine-1-methyl-[d3] is the labelled analogue of Paraxanthine. Paraxanthine is a metabolite of caffeine, and also acts as an inhibitor of phosphodiesterase 9 (PDE9) and an antagonist of adenosine receptors A1 and A2 (Kis = 35 and 22 μM, respectively in equine forebrain tissues). |
Synonyms | 1,7-Dimethylxanthine-d3; Paraxanthine-1-methyl D3 |
IUPAC Name | 7-Methyl-1-(trideuteriomethyl)-3H-purine-2,6-dione |
Related CAS | 611-59-6 (unlabelled) |
Isomeric SMILES | [2H]C([2H])([2H])N1C(=O)C2=C(NC1=O)N=CN2C |
Canonical SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2)C |
InChI | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i2D3 |
InChI Key | QUNWUDVFRNGTCO-BMSJAHLVSA-N |
Melting Point | 297-299°C |
Purity | 95% atom D |
Solubility | Soluble in DMSO, Methanol |
Appearance | White to Pale Yellow Solid |
Application | An adenosine receptor ligand and a major metabolite of caffeine. |
Storage | Store at -20°C |
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