Date published: 2025-9-19

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Theobromine-d6 (CAS 117490-40-1)

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Alternate Names:
3,7-Dihydro-3,7-di(methyl-d3)-1H-purine-2,6-dione; 3,7-Dimethylxanthine-d6; Diurobromine-d6
Application:
Theobromine-d6 is A labeled metabolite of Caffeine
CAS Number:
117490-40-1
Molecular Weight:
186.20
Molecular Formula:
C7H2D6N4O2
For Research Use Only. Not Intended for Diagnostic or Therapeutic Use.
* Refer to Certificate of Analysis for lot specific data.

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Theobromine-d6 is a deuterated analogue of theobromine, a naturally occurring compound found in cocoa beans and certain other plants. This specific variant, distinguished by the replacement of hydrogen atoms with deuterium (a heavier isotope of hydrogen), offers unique advantages in the realm of scientific research, particularly in the study of metabolic pathways and the pharmacokinetics of theobromine itself. By incorporating deuterium atoms, theobromine-d6 exhibits a slightly altered physical profile, which allows it to be traced more easily through various biochemical processes using techniques such as mass spectrometry or NMR spectroscopy. This traceability is in understanding the detailed mechanisms of action of theobromine at the molecular level, including its effects on specific enzymes and receptors within cells. Additionally, the use of theobromine-d6 in research provides insights into its metabolism and distribution within biological systems, aiding in the elucidation of its role and behavior in various biochemical contexts.


Theobromine-d6 (CAS 117490-40-1) References

  1. Specific Nutritional Biomarker Profiles in Mild Cognitive Impairment and Subjective Cognitive Decline Are Associated With Clinical Progression: The NUDAD Project.  |  de Leeuw, FA., et al. 2020. J Am Med Dir Assoc. 21: 1513.e1-1513.e17. PMID: 32001171
  2. Monitoring caffeine intake in children with a questionnaire and urine collection: a cross-sectional study in a convenience sample in Switzerland.  |  Rios-Leyvraz, M., et al. 2020. Eur J Nutr. 59: 3537-3543. PMID: 32016643
  3. A double-blind, randomized, two-part, two-period crossover study to evaluate the pharmacokinetics of caffeine versus d9-caffeine in healthy subjects.  |  Sherman, MM., et al. 2022. Regul Toxicol Pharmacol. 133: 105194. PMID: 35690181
  4. Increased Intake of Both Caffeine and Non-Caffeine Coffee Components Is Associated with Reduced NAFLD Severity in Subjects with Type 2 Diabetes.  |  Coelho, M., et al. 2022. Nutrients. 15: PMID: 36615664
  5. Easy preparative scale syntheses of labelled xanthines: caffeine, theophylline and theobromine  |  Frédéric Balssa, Yves Bonnaire. 2007. Journal of Labelled Compounds and Radiopharmaceuticals. 50: 33-41.

Ordering Information

Product NameCatalog #UNITPriceQtyFAVORITES

Theobromine-d6, 1 mg

sc-208434
1 mg
$280.00

Theobromine-d6, 2 mg

sc-208434A
2 mg
$440.00