| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Febuxostat-d9 targets xanthine oxidase, the same enzyme targeted by febuxostat. Xanthine oxidase is a key enzyme in purine metabolism that catalyzes the production of uric acid. Febuxostat is a nonpurine inhibitor of xanthine oxidase. Febuxostat-d9 is not typically used for pharmacological studies of the target itself, but rather as a labeled analog for analytical purposes.
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| ln Vitro |
In vitro activity data for Febuxostat-d9 are not typically generated, as the compound is primarily used as an analytical standard. The biological activity of Febuxostat-d9 is expected to be similar to that of febuxostat, which is a potent xanthine oxidase inhibitor. However, Febuxostat-d9 is not typically used for activity assays; its primary use is as an internal standard.
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| ln Vivo |
In vivo studies using Febuxostat-d9 are primarily pharmacokinetic in nature. The compound is used as an internal standard to study the pharmacokinetics of febuxostat. Deuterium-labeled compounds are used to track the parent drug and its metabolites in biological samples.
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| Enzyme Assay |
The use of Febuxostat-d9 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 febuxostat in biological samples. The compound is added to samples at a known concentration, and the ratio of febuxostat to Febuxostat-d9 is used to calculate the concentration of febuxostat.
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| Cell Assay |
In vitro cellular assays are not typically performed with Febuxostat-d9, as the compound is primarily used as an analytical standard. If cellular studies were performed, they would be similar to those for febuxostat, assessing xanthine oxidase inhibition. However, the primary use of Febuxostat-d9 is in analytical chemistry and pharmacokinetic studies.
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| Animal Protocol |
Febuxostat-d9 is used in pharmacokinetic studies in animals and humans. The compound is administered along with or as a substitute for febuxostat, and blood or tissue samples are collected at various time points. The concentration of Febuxostat-d9 (and febuxostat) is measured by LC-MS.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Febuxostat-d9 are similar to those of febuxostat, as the deuterium label does not significantly alter the compound's physicochemical properties. The compound has a molecular weight of 325.43. Febuxostat-d9 is used as an internal standard in pharmacokinetic studies to accurately measure febuxostat concentrations.
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| Toxicity/Toxicokinetics |
Febuxostat-d9 is a stable isotope-labeled compound with a molecular weight of 325.43. It is stable if stored under recommended conditions. As a labeled compound, it is not typically used for toxicology studies; its primary use is analytical. Febuxostat-d9 is for research use only and not for human use.
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| Additional Infomation |
Febuxostat-d9 is the deuterium-labeled form of febuxostat, a nonpurine xanthine oxidase inhibitor used to manage hyperuricemia associated with gout. Febuxostat-d9 is intended for use as an internal standard for the quantification of febuxostat by mass spectrometry. It has a molecular weight of 325.43. No separate clinical trials or regulatory approvals have been reported for Febuxostat-d9.
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| Molecular Formula |
C16H7D9N2O3S
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|---|---|
| Molecular Weight |
325.43
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| Exact Mass |
325.145
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| CAS # |
1246819-50-0
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| Related CAS # |
Febuxostat;144060-53-7;Febuxostat sodium;1140907-13-6
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| PubChem CID |
49849690
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| Appearance |
White to off-white solid powder
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| LogP |
3.723
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
22
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| Complexity |
448
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])OC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)C#N
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| InChi Key |
BQSJTQLCZDPROO-KIROAFHOSA-N
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| InChi Code |
InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)/i1D3,2D3,8D2,9D
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| Chemical Name |
2-[3-cyano-4-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
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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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0729 mL | 15.3643 mL | 30.7286 mL | |
| 5 mM | 0.6146 mL | 3.0729 mL | 6.1457 mL | |
| 10 mM | 0.3073 mL | 1.5364 mL | 3.0729 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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