| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
The primary target of Diclofenac-d4 is not the compound itself but the parent drug Diclofenac, which is a non-selective cyclooxygenase (COX) inhibitor. Diclofenac inhibits COX-1 and COX-2, enzymes involved in the synthesis of prostaglandins, thereby exerting anti-inflammatory and analgesic effects. Diclofenac-d4 is used as an internal standard for the quantification of diclofenac in pharmacokinetic and bioanalytical studies.
|
|---|---|
| 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].
Diclofenac-d4 itself does not exhibit direct in vitro biological activity because it is a stable isotope-labeled internal standard. However, the parent compound Diclofenac is a potent non-selective COX inhibitor with IC50s of 0.9-2.7 and 1.5-20 μM for human COX-1 and COX-2, respectively. Diclofenac-d4 is used as an internal standard to accurately measure diclofenac concentrations in biological samples. |
| ln Vivo |
Diclofenac-d4 is not intended for in vivo administration as a therapeutic agent; it is used as an analytical standard. The in vivo activity of the parent compound Diclofenac is well documented as an NSAID used for the treatment of pain and inflammation. Diclofenac-d4 is utilized in pharmacokinetic studies to track the distribution, metabolism, and excretion of Diclofenac in biological samples.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for Diclofenac-d4 are not typically performed, as it is an analytical standard. Instead, the compound is used in analytical method development and validation. Quality control assays involve HPLC or LC-MS/MS to verify isotopic purity (≥98 atom % D) and chemical purity (>98%). The compound is tested for stability under various storage conditions, including powder storage at -20°C for 3 years and at -20°C for 6 months in solution.
|
| Cell Assay |
Diclofenac-d4 itself is not tested in in vitro cellular assays for biological activity, as it is an analytical standard. Its utility is assessed by its performance as an internal standard in analytical workflows, including its ability to co-elute with the parent compound and provide accurate quantification in LC-MS/MS or GC-MS analyses. The compound is used in quality control applications for Diclofenac analysis.
|
| Animal Protocol |
In vivo animal studies for Diclofenac-d4 are not conducted as therapeutic efficacy studies. Instead, the compound is administered to animals as a tracer in pharmacokinetic studies to quantify the parent drug Diclofenac in plasma, tissues, and excreta. These studies help determine the absorption, distribution, metabolism, and excretion (ADME) profile of Diclofenac. The labeled compound allows for precise tracking and identification of the drug in biological matrices.
|
| ADME/Pharmacokinetics |
Diclofenac-d4 has a molecular formula of C14H7D4Cl2NO2 and a molecular weight of 300.17. It has a purity of >98% and an isotopic enrichment of ≥98 atom % D. It appears as a white to off-white solid. The compound is stable under recommended storage conditions at -20°C. It is intended for research use only and is not for human consumption.
|
| Toxicity/Toxicokinetics |
The toxicity profile of Diclofenac-d4 is not extensively characterized, as it is an analytical standard rather than a therapeutic agent. The parent compound Diclofenac has well-established safety and toxicity profiles as an NSAID. Diclofenac-d4 is intended for research use only and is not approved for clinical use. Standard laboratory safety precautions should be followed when handling this compound.
|
| References |
|
| Additional Infomation |
Diclofenac-d4 (CAS 153466-65-0) is a deuterated form of Diclofenac, a potent nonselective COX inhibitor. It contains four deuterium atoms on the benzene ring and is intended for use as an internal standard for the quantification of diclofenac by GC- or LC-mass spectrometry. Diclofenac is an NSAID with IC50s of 0.9-2.7 and 1.5-20 μM for human COX-1 and COX-2, respectively. It is intended for research use only and is not approved for clinical use.
|
| Molecular Formula |
C14H7D4CL2NO2
|
|---|---|
| Molecular Weight |
300.17
|
| Exact Mass |
299.042
|
| CAS # |
153466-65-0
|
| Related CAS # |
Diclofenac;15307-86-5;Diclofenac diethylamine;78213-16-8
|
| PubChem CID |
12877529
|
| Appearance |
White to off-white solid powder
|
| Melting Point |
157-159ºC
|
| LogP |
4.437
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
19
|
| Complexity |
304
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])CC(=O)O)NC2=C(C=CC=C2Cl)Cl)[2H])[2H]
|
| InChi Key |
DCOPUUMXTXDBNB-SCFZSLNVSA-N
|
| InChi Code |
InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/i1D,2D,4D,7D
|
| Chemical Name |
2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 3.3314 mL | 16.6572 mL | 33.3145 mL | |
| 5 mM | 0.6663 mL | 3.3314 mL | 6.6629 mL | |
| 10 mM | 0.3331 mL | 1.6657 mL | 3.3314 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
