1202865-49-3

Usage

Uses

Used in Pharmaceutical and Biomedical Research:
1-Methylxanthine-13C,D3 is utilized as an internal standard for the precise measurement and analysis of 1-methylxanthine levels in biological samples. Its stable isotope labeling ensures reliable results, contributing to the advancement of pharmaceutical and biomedical research.
Used in Mass Spectrometry:
1-Methylxanthine-13C,D3 serves as a reference material in mass spectrometry, allowing for the accurate quantification of 1-methylxanthine. The stable isotope labeling differentiates the compound from its non-labeled counterpart, facilitating precise measurements in complex biological matrices.
Used in Pharmacokinetic Studies:
1-Methylxanthine-13C,D3 is employed as a tracer in pharmacokinetic studies to track the absorption, distribution, metabolism, and excretion of caffeine and its metabolites in the body. The stable isotope labeling provides a distinct signature, enabling the monitoring of caffeine's metabolic pathways and the assessment of its pharmacokinetic properties.
Used in Metabolism Research:
In metabolism research, 1-Methylxanthine-13C,D3 is applied to investigate the metabolic fate of caffeine and its metabolites. The stable isotope labeling allows for the differentiation of endogenous and exogenous compounds, providing insights into the metabolic pathways and mechanisms involved in caffeine metabolism.

Upstream product

• 20710-47-8 [13C₂H₃] methyl iodide 
• 69-89-6 xanthin 

Relevant academic research and scientific papers

Fluvoxamine-theophylline interaction: Gap between in vitro and in vivo inhibition constants toward cytochrome P4501A2

Objective: Several reports indicate that fluvoxamine decreases the clearance of cytochrome P4501A2 (CYP1A2) substrates. This study compared in vitro and in vivo inhibition potencies of fluvoxamine toward CYP1A2 with an approach based on inhibition constants (Ki) determined in vitro and in vivo. Methods: In vitro inhibition constant values were determined with human liver microsomes and complementary deoxyribonucleic acid-expressed CYP1A2 (supersomes). Fluvoxamine in vivo inhibition constants (Kiiv) for CYP1A2 were obtained from an investigation of single-dose theophylline (250 mg) disposition in 9 healthy volunteers receiving steady-state (9 days) fluvoxamine at 3 doses (0, 25, or 75 mg/d) in a randomized crossover design. Results: In vitro Ki values based on total inhibitor concentrations were 177 ± 56 nmol/L, 121 ± 21 nmol/L, and 52 ± 13 nmol/L in human liver microsomes with 1 mg/ml protein and 0.5 mg/ml protein and in supersomes with 0.3 mg/ml protein, respectively. The corresponding in vitro Ki values based on unbound fluvoxamine concentrations were 35 nmol/L, 36 nmol/L, and 36 nmol/L. The ratio of 1-methyluric acid formation clearances (control/inhibited) in 8 subjects was positively correlated with fluvoxamine concentration (r2 = 0.87; P iiv based on total and unbound plasma concentrations at steady state were 25.3 nmol/L (range, 14-39 nmol/L) and 3.6 nmol/L (range, 2.4-5.9 nmol/L), respectively. Conclusion: Comparison of in vitro and in vivo Ki values based on unbound fluvoxamine concentrations suggests that fluvoxamine inhibition potency is approximately 10 times greater in vivo than in vitro.