| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
This compound is an endogenous metabolite and a metabolite of caffeine.
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|---|---|
| ln Vitro |
This compound is not used for in vitro pharmacological activity assessment; it is used as an internal standard for the quantification of 1,7-Dimethyluric acid in biological samples by LC-MS/MS to study caffeine metabolism.
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| ln Vivo |
The deuterated compound is not administered to animals as a pharmacological agent. Instead, it is used in animal studies as an internal standard for LC-MS/MS to quantify 1,7-Dimethyluric acid in plasma and urine samples collected from caffeine metabolism studies.
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| Enzyme Assay |
Non-cell assays involve LC-MS/MS method development for methyluric acids. 1,7-Dimethyluric acid-d3 is added to calibration standards and quality control samples at a fixed concentration. Samples undergo protein precipitation or solid-phase extraction, then MRM transitions are monitored for quantification.
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| Cell Assay |
Cell-based assays are not applicable for this compound. In analytical contexts, the compound is sometimes added to fortified cell culture supernatants to serve as an internal standard during validation of LC-MS/MS methods for metabolic studies in cell lines.
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| Animal Protocol |
In animal experiments, 1,7-Dimethyluric acid-d3 is typically not administered to animals. Instead, it is added post-collection to plasma or urine samples from animal models of caffeine metabolism prior to LC-MS/MS analysis, serving as the internal standard for quantifying endogenous 1,7-Dimethyluric acid.
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| ADME/Pharmacokinetics |
1,7-Dimethyluric acid-d3 has identical ADME properties to unlabeled 1,7-Dimethyluric acid. It is a minor caffeine metabolite, is renally cleared, and has a short half-life. As a deuterated internal standard, it co-elutes with the analyte but is differentiated by mass shift (+3 Da).
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| Toxicity/Toxicokinetics |
Unlabeled 1,7-Dimethyluric acid is a normal caffeine metabolite and is not toxic at physiological levels. The deuterated analog is considered safe for laboratory handling at analytical concentrations.
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| References | |
| Additional Infomation |
1,7-Dimethyluric acid-d3 is used as an internal standard for the study of purine metabolism, xanthine oxidase activity, and metabolic pathway analysis. It is a critical reagent in clinical research for monitoring caffeine metabolism and caffeine intake assessment.
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| Molecular Formula |
C7H5D3N4O3
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|---|---|
| Molecular Weight |
199.18
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| Exact Mass |
199.078
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| CAS # |
1189713-08-3
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| Related CAS # |
1,7-Dimethyluric acid;33868-03-0
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| PubChem CID |
46781384
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| Appearance |
Typically exists as solid at room temperature
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| Melting Point |
>300°C
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| LogP |
-0.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
|
| Heavy Atom Count |
14
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| Complexity |
386
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])N1C(=O)C2=C(NC(=O)N2C)NC1=O
|
| InChi Key |
NOFNCLGCUJJPKU-BMSJAHLVSA-N
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| InChi Code |
InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)/i2D3
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| Chemical Name |
7-methyl-1-(trideuteriomethyl)-3,9-dihydropurine-2,6,8-trione
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.0206 mL | 25.1029 mL | 50.2058 mL | |
| 5 mM | 1.0041 mL | 5.0206 mL | 10.0412 mL | |
| 10 mM | 0.5021 mL | 2.5103 mL | 5.0206 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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