| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Febuxostat dicarboxylic acid impurity is an impurity of febuxostat. The parent drug febuxostat is a selective xanthine oxidase (XO) inhibitor with a Ki of 0.6 nM. Xanthine oxidase is a key enzyme in the purine degradation pathway that catalyzes the oxidation of hypoxanthine to xanthine and xanthine to uric acid. The impurity shares the thiazole carboxylic acid scaffold but is not intended for pharmacological use.
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| ln Vitro |
As a pharmaceutical impurity, Febuxostat dicarboxylic acid impurity is not tested for standalone in vitro pharmacological activity. Febuxostat itself is a potent inhibitor of xanthine oxidase with an IC50 in the low nanomolar range. The impurity is used as a reference standard to ensure the purity of febuxostat drug substance and finished products. Impurity levels are controlled according to ICH guidelines to ensure patient safety.
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| ln Vivo |
No independent in vivo studies are reported for Febuxostat dicarboxylic acid impurity as a therapeutic agent. Febuxostat reduces serum uric acid levels in patients with hyperuricemia and gout by inhibiting xanthine oxidase. The impurity is not administered for pharmacological effect but is monitored in quality control to ensure levels are within acceptable limits (typically below 0.1-0.5%).
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| Enzyme Assay |
Febuxostat dicarboxylic acid impurity is used in non-cellular analytical method development. The impurity standard is dissolved in an organic solvent such as DMSO or methanol to prepare a stock solution (e.g., 1 mg/mL). It is then diluted to working concentrations (e.g., 1-100 ug/mL) for HPLC or LC-MS analysis. A calibration curve is established, and parameters such as retention time, peak area, and resolution are evaluated to validate the method for impurity quantification in febuxostat drug substance.
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| Cell Assay |
Febuxostat dicarboxylic acid impurity is not used as a treatment in cell-based studies. It serves as an analytical standard for quantifying this impurity in cell culture samples from cells treated with febuxostat. After sample collection, the impurity standard is spiked into the samples at a fixed concentration. Following protein precipitation and centrifugation, samples are analyzed by LC-MS/MS to determine if any metabolic conversion of febuxostat to this dicarboxylic acid impurity occurs in hepatic cellular systems.
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| Animal Protocol |
For in vivo studies, Febuxostat dicarboxylic acid impurity is not administered to animals independently. It is used as an analytical standard for quantifying the impurity in plasma or tissue samples from animals dosed with febuxostat. After sample collection, the impurity standard is spiked into the samples at a known concentration. Following extraction and LC-MS/MS analysis, the concentration of the impurity is determined to support ADME and toxicology studies, ensuring that impurity levels do not accumulate to unsafe levels.
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| ADME/Pharmacokinetics |
As an impurity standard, Febuxostat dicarboxylic acid impurity has no independent pharmacokinetic parameters. Febuxostat is well absorbed after oral administration (∼84% bioavailability), has high plasma protein binding (∼99%), and an elimination half-life of approximately 5-8 hours. The dicarboxylic acid impurity would be more polar than the parent drug and is expected to have poor oral absorption and rapid renal elimination if formed or present.
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| Toxicity/Toxicokinetics |
Febuxostat dicarboxylic acid impurity is handled as a reference standard in analytical laboratories. No specific toxicity data is available for this impurity. Febuxostat has a well-characterized safety profile including liver function abnormalities (elevated transaminases), nausea, arthralgia, and rash. Impurity levels in drug products are strictly controlled to ensure safety. Standard laboratory safety precautions for handling organic compounds (gloves, safety glasses, fume hood) are recommended. Not for human consumption.
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| References |
[1]. Sunitha.P.G, et al. A Validated Stability Indicating HPTLC method for analysis of Febuxostat and Characterization of degradation product.
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| Additional Infomation |
Febuxostat dicarboxylic acid impurity is not a drug but a characterized impurity and analytical standard. It has no approved therapeutic status and is not intended for human use. This compound is used for analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of febuxostat. It can be used as reference standards with traceability against pharmacopeial standards. Febuxostat is an FDA-approved drug for chronic gout.
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| Molecular Formula |
C16H17NO5S
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|---|---|
| Molecular Weight |
335.37
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| Exact Mass |
335.082
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| CAS # |
1239233-87-4
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| PubChem CID |
46849410
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
568.9±60.0 °C at 760 mmHg
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| Flash Point |
297.9±32.9 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.601
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| LogP |
4.59
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
23
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| Complexity |
444
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C(=O)O)C(=O)O
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| InChi Key |
WSCLTDCYZOTAKS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H17NO5S/c1-8(2)7-22-12-5-4-10(6-11(12)15(18)19)14-17-9(3)13(23-14)16(20)21/h4-6,8H,7H2,1-3H3,(H,18,19)(H,20,21)
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| Chemical Name |
2-[3-carboxy-4-(2-methylpropoxy)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 Vitro) |
DMSO: 250 mg/mL (745.45 mM)
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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 | 2.9818 mL | 14.9089 mL | 29.8178 mL | |
| 5 mM | 0.5964 mL | 2.9818 mL | 5.9636 mL | |
| 10 mM | 0.2982 mL | 1.4909 mL | 2.9818 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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