| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Doxofylline-d6 targets the same receptors and enzymes as Doxofylline: the adenosine A1 receptor and phosphodiesterase IV (PDE4). As an adenosine A1 receptor antagonist, Doxofylline blocks the effects of adenosine at this receptor. As a PDE4 inhibitor, Doxofylline increases intracellular cAMP levels by preventing its hydrolysis. Doxofylline-d6 is not typically used for pharmacological studies of the target itself, but rather as a labeled analog for studying the pharmacokinetics and metabolism of Doxofylline.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
In vitro activity data for Doxofylline-d6 are not typically generated, as the compound is primarily used as an analytical standard and for pharmacokinetic studies. The biological activity of Doxofylline-d6 is expected to be similar to that of Doxofylline, which is an adenosine A1 receptor antagonist and PDE4 inhibitor. However, Doxofylline-d6 is not typically used for activity assays; its primary use is as a labeled compound for research applications. |
| ln Vivo |
In vivo studies using Doxofylline-d6 are primarily pharmacokinetic in nature. The compound is used as an internal standard or tracer to study the absorption, distribution, metabolism, and excretion of Doxofylline. Deuterium-labeled compounds are used to track the parent drug and its metabolites in biological samples. Doxofylline-d6 is not typically used for efficacy studies, as its primary purpose is analytical.
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| Enzyme Assay |
The use of Doxofylline-d6 in in vitro experiments is primarily analytical. It is used as an internal standard in liquid chromatography-mass spectrometry (LC-MS) methods for the quantification of Doxofylline in biological samples. The compound is added to samples at a known concentration, and the ratio of Doxofylline to Doxofylline-d6 is used to calculate the concentration of Doxofylline. This approach corrects for variations in sample preparation and instrument performance.
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| Cell Assay |
In vitro cellular assays are not typically performed with Doxofylline-d6, as the compound is primarily used as an analytical standard. If cellular studies were performed, they would be similar to those for Doxofylline, assessing adenosine A1 receptor antagonism or PDE4 inhibition. However, the primary use of Doxofylline-d6 is in analytical chemistry and pharmacokinetic studies, not in cellular activity assays.
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| Animal Protocol |
Doxofylline-d6 is used in pharmacokinetic studies in animals and humans. The compound is administered along with or as a substitute for Doxofylline, and blood or tissue samples are collected at various time points. The concentration of Doxofylline-d6 (and Doxofylline) is measured by LC-MS. Pharmacokinetic parameters such as Cmax, Tmax, half-life, and AUC are calculated. The deuterium label allows for the simultaneous measurement of the drug and its metabolites.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Doxofylline-d6 are similar to those of Doxofylline, as the deuterium label does not significantly alter the compound's physicochemical properties. The compound is used as an internal standard in pharmacokinetic studies to accurately measure Doxofylline concentrations. It has a molecular weight of 272.29. Stable isotope labeling allows for the tracking of the compound in biological systems.
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| Toxicity/Toxicokinetics |
Doxofylline-d6 is a stable isotope-labeled compound with an isotopic enrichment of 99% 2H. It is stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use. As a labeled compound, it is not typically used for toxicology studies; its primary use is analytical. Doxofylline-d6 is for research use only and not for human use.
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| References | |
| Additional Infomation |
Doxofylline-d6 is the deuterium-labeled form of Doxofylline, an adenosine A1 receptor antagonist and PDE4 inhibitor. It is used as an internal standard in analytical methods and for pharmacokinetic studies of Doxofylline. The compound has a molecular weight of 272.29 and an isotopic enrichment of 99% 2H. It is a research-grade compound for non-clinical use. No clinical trials or regulatory approvals have been reported for Doxofylline-d6.
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| Molecular Formula |
C11H14N4O4
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|---|---|
| Molecular Weight |
266.253262042999
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| Exact Mass |
272.139
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| CAS # |
1219805-99-8
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| Related CAS # |
Doxofylline;69975-86-6
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| PubChem CID |
162641888
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| Appearance |
White to off-white solid powder
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| LogP |
-0.9
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
19
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| Complexity |
398
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(C1OCCO1)N1C=NC2N(C(=O)N(C([H])([H])[H])C(=O)C1=2)C([H])([H])[H]
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| InChi Key |
HWXIGFIVGWUZAO-WFGJKAKNSA-N
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| InChi Code |
InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3/i1D3,2D3
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| Chemical Name |
7-(1,3-dioxolan-2-ylmethyl)-1,3-bis(trideuteriomethyl)purine-2,6-dione
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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 | 3.7559 mL | 18.7793 mL | 37.5587 mL | |
| 5 mM | 0.7512 mL | 3.7559 mL | 7.5117 mL | |
| 10 mM | 0.3756 mL | 1.8779 mL | 3.7559 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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