1,7-Dimethylxanthine-d3

1,7-Dimethylxanthine-d3 is a deuterated analog of caffeine, which is a natural stimulant found in coffee, tea, and some other plants. 1,7-Dimethylxanthine-d3 is commonly used as a reference standard in pharmacological studies, as well as in analytical chemistry for the quantification of caffeine in biological fluids and food samples. The chemical formula of 1,7-Dimethylxanthine-d3 is C8H6D3N4O2, and its molecular weight is 190.23 g/mol. It is a white crystalline powder that is soluble in water and slightly soluble in ethanol and methanol. The deuterium atoms in 1,7-Dimethylxanthine-d3 replace three hydrogen atoms in the methyl groups of caffeine, making it a useful tool for isotopic labeling studies. 1,7-Dimethylxanthine-d3 is metabolized in the liver by the cytochrome P450 enzymes, primarily CYP1A2, to produce three primary metabolites: paraxanthine, theobromine, and theophylline. These metabolites have different pharmacological properties and are responsible for many of the effects of caffeine on the body, including increased alertness, decreased fatigue, and improved cognitive function. Overall, 1,7-Dimethylxanthine-d3 is an important tool for researchers studying the pharmacology and metabolism of caffeine. Its availability as a reference standard allows for accurate quantification of caffeine in biological samples, and its deuterium labeling provides a valuable tool for isotopic labeling studies.