| Size | Price | Stock | Qty |
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| 5mg |
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| Other Sizes |
| Targets |
4'-Hydroxy diclofenac-d4 has no direct pharmacological target as an internal standard. The unlabeled 4'-hydroxy diclofenac is a primary metabolite of the NSAID diclofenac, formed via the action of the cytochrome P450 enzyme CYP2C9. It is responsible for some of the pharmacological activity of the parent drug. 4'-Hydroxy diclofenac has been shown to have anti-inflammatory, analgesic, and antipyretic properties and is considered an active metabolite.
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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].
As an internal standard, 4'-Hydroxy diclofenac-d4 is not used to measure in vitro activity. The unlabeled metabolite, 4'-hydroxy diclofenac, retains the cyclooxygenase (COX-1 and COX-2) inhibitory activity of the parent drug, though it is less potent than diclofenac. Its activity is often assessed to understand the overall contribution of the metabolite to the parent drug's therapeutic effect and to study its own metabolic and pharmacokinetic properties. |
| ln Vivo |
In vivo, 4'-hydroxy diclofenac is the major circulating metabolite of diclofenac in humans. It contributes to the overall analgesic and anti-inflammatory effects of the parent drug. Its formation is dependent on the activity of CYP2C9, an enzyme with well-known genetic polymorphisms. This means the concentration of this metabolite can vary significantly between individuals, affecting both drug efficacy and toxicity. The deuterated form is used as a standard to precisely measure these levels.
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| Enzyme Assay |
4'-Hydroxy diclofenac-d4 is used as an internal standard for non-cellular assays. For in vitro method development, a stock solution is prepared by dissolving the compound in an organic solvent like methanol or acetonitrile. A fixed, known amount of this standard is spiked into biological samples (e.g., plasma, urine, cell lysates, or microsomal incubations) before any sample processing. After sample preparation (e.g., protein precipitation, liquid-liquid extraction), the sample is analyzed by LC-MS/MS. The signal ratio of the unlabeled 4'-hydroxy diclofenac to the d4-labeled standard is used for precise quantification.
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| Cell Assay |
For in vitro cellular experiments, 4'-Hydroxy diclofenac-d4 is not used as a treatment. It is used as an analytical standard. For example, primary human hepatocytes or liver microsomes are incubated with diclofenac. At various time points, the reaction is stopped, and a fixed amount of 4'-Hydroxy diclofenac-d4 is added to the sample. The sample is then processed and analyzed by LC-MS to measure the amount of 4'-hydroxy diclofenac formed, which is a direct measure of CYP2C9 metabolic activity in that cellular model.
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| Animal Protocol |
4'-Hydroxy diclofenac-d4 is not administered to animals directly for efficacy studies. It is used as an analytical standard to measure the formation of the unlabeled metabolite in samples from animal studies. For example, in a toxicology or pharmacokinetic study, rats or dogs are administered diclofenac. Plasma, urine, or tissue samples are collected. The deuterated internal standard is added to these samples, and the concentration of 4'-hydroxy diclofenac is determined by LC-MS. This data is used to calculate key pharmacokinetic parameters for this active metabolite.
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| ADME/Pharmacokinetics |
4'-Hydroxy diclofenac-d4 has no independent pharmacokinetic parameters of its own. The unlabeled 4'-hydroxy diclofenac has a plasma half-life similar to or slightly shorter than its parent drug diclofenac (approximately 1-2 hours). It is eliminated primarily after being further conjugated (e.g., glucuronidation) and excreted in the urine and bile. The deuterated standard is used to calibrate analytical methods for this metabolite.
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| Toxicity/Toxicokinetics |
4'-Hydroxy diclofenac is an active NSAID metabolite and has a known safety profile similar to other NSAIDs. Its use can be associated with gastrointestinal, renal, and cardiovascular side effects at high levels. However, as an analytical standard, 4'-Hydroxy diclofenac-d4 is handled in very small, non-toxic quantities (micrograms to milligrams) in research settings. Standard laboratory safety precautions for handling organic compounds, including the use of gloves and safety glasses, are sufficient.
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| References |
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| Additional Infomation |
4'-Hydroxy diclofenac-d4 is not a drug but a deuterium-labeled stable isotope internal standard. Its primary use is in research and development for the accurate quantification of 4'-hydroxy diclofenac in complex biological matrices. This is critical for drug metabolism and pharmacokinetic (DMPK) studies of diclofenac, for therapeutic drug monitoring, and for clinical research on drug-drug interactions, as it serves as a probe for CYP2C9 enzyme activity.
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| Molecular Formula |
C14H7D4CL2NO3
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|---|---|
| Molecular Weight |
316.17
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| Exact Mass |
315.037
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| CAS # |
254762-27-1
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| Related CAS # |
4'-Hydroxy diclofenac;64118-84-9
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| PubChem CID |
10805325
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| Appearance |
White to light yellow solid powder
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| Density |
1.54g/cm3
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| Boiling Point |
432.709ºC at 760 mmHg
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| Flash Point |
215.495ºC
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| Vapour Pressure |
0mmHg at 25°C
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| Index of Refraction |
1.69
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| LogP |
4.142
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
20
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| Complexity |
330
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl)[2H])[2H]
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| InChi Key |
KGVXVPRLBMWZLG-RHQRLBAQSA-N
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| InChi Code |
InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)/i1D,2D,3D,4D
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| Chemical Name |
2-[2,3,4,5-tetradeuterio-6-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic 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) |
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 | 3.1629 mL | 15.8143 mL | 31.6286 mL | |
| 5 mM | 0.6326 mL | 3.1629 mL | 6.3257 mL | |
| 10 mM | 0.3163 mL | 1.5814 mL | 3.1629 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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