| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Cyclooxygenase-2 (COX-2). Propyphenazone-d3 is a pyrazolone derivative that functions as a selective COX-2 inhibitor. Its non-deuterated parent compound, propyphenazone, acts by inhibiting the activity of COX-2, thereby blocking the conversion of arachidonic acid to prostaglandins involved in pain, fever, and inflammation.
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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, propyphenazone-d3 is a pyrazolone derivative with anti-inflammatory, analgesic, and antipyretic activity. It acts by selective inhibition of cyclooxygenase-2 (COX-2). The deuterated version is used as an internal standard for analytical quantification and is not typically tested alone in biological activity assays. |
| ln Vivo |
No detailed in vivo studies for propyphenazone-d3 alone are available. The non-deuterated propyphenazone is used clinically as an NSAID for pain relief and fever reduction. It works similarly to other NSAIDs by inhibiting the enzyme activity involved in inflammation and pain signaling pathways. In vivo, propyphenazone reduces PGE2 levels and body temperature in febrile models.
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| Enzyme Assay |
The selectivity for COX-2 over COX-1 is assessed using a COX inhibition assay. Purified human COX-1 and COX-2 enzymes are incubated with arachidonic acid in the presence of serially diluted propyphenazone-d3 (0.1-1000 uM). Prostaglandin (PGE2) production is quantified by ELISA. The IC50 ratio (COX-1/COX-2) is calculated to determine COX-2 selectivity.
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| Cell Assay |
For in vitro cellular assays, human whole blood or murine macrophages (RAW 264.7) are stimulated with lipopolysaccharide (LPS, 1 ug/mL) to induce COX-2 expression. Cells are treated with serially diluted propyphenazone-d3 (0.1-1000 uM) for 24 hours. Supernatant PGE2 and thromboxane B2 (TXB2) levels are measured by ELISA. The IC50 for COX-2 inhibition is calculated from the dose-response curve.
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| Animal Protocol |
A standard rat paw edema model is used to assess in vivo anti-inflammatory activity. Sprague-Dawley rats receive a subplantar injection of 1% carrageenan into the right hind paw. Propyphenazone-d3 is administered orally (10-50 mg/kg) 1 hour before carrageenan injection. Paw volume is measured using a plethysmometer at 0, 1, 2, 3, 4, and 6 hours post-injection. The percentage inhibition of edema is calculated.
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| ADME/Pharmacokinetics |
Propyphenazone-d3 has a molecular weight of 233.30 g/mol (deuterated) and a formula of C14H15D3N2O. The non-deuterated propyphenazone has a molecular weight of 230.31 g/mol. The deuterated form is chemically stable and fully compatible with LC-MS/MS analysis. Its pharmacokinetic parameters are expected to be similar to those of propyphenazone.
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| Toxicity/Toxicokinetics |
Detailed toxicological data specific to propyphenazone-d3 are not publicly available. The non-deuterated propyphenazone is generally well-tolerated at therapeutic doses, with potential side effects including gastrointestinal irritation and rare cases of agranulocytosis. As an internal standard used in analytical applications, it is not administered at pharmacologically active doses.
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| References | |
| Additional Infomation |
Propyphenazone-d3 is a research-grade stable isotope-labeled compound not approved for clinical use. It is intended for use as an internal standard in LC-MS/MS quantification of propyphenazone in biological matrices such as plasma, urine, and tissue homogenates. This product is for laboratory research purposes only, not for human therapeutic use.
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| Molecular Formula |
C14H15D3N2O
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|---|---|
| Molecular Weight |
233.32
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| Exact Mass |
233.16
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| CAS # |
162935-29-7
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| Related CAS # |
Propyphenazone;479-92-5
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| PubChem CID |
102602335
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
319.0±25.0 °C at 760 mmHg
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| Flash Point |
123.8±15.5 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.556
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| LogP |
1.74
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
17
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| Complexity |
340
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])N1C(=C(C(=O)N1C2=CC=CC=C2)C(C)C)C
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| InChi Key |
PXWLVJLKJGVOKE-GKOSEXJESA-N
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| InChi Code |
InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3/i4D3
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| Chemical Name |
5-methyl-2-phenyl-4-propan-2-yl-1-(trideuteriomethyl)pyrazol-3-one
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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 | 4.2860 mL | 21.4298 mL | 42.8596 mL | |
| 5 mM | 0.8572 mL | 4.2860 mL | 8.5719 mL | |
| 10 mM | 0.4286 mL | 2.1430 mL | 4.2860 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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