| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 1g | |||
| Other Sizes |
| Targets |
Zomepirac sodium salt targets cyclooxygenase (COX) enzymes, acting as a prostaglandin synthetase inhibitor. By inhibiting prostaglandin biosynthesis, it reduces inflammation and pain. It also affects immune-mediated pathways and can cause immune-mediated liver injury.
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|---|---|
| ln Vitro |
Zomepirac sodium salt is a potent inhibitor of prostaglandin biosynthesis with significant analgesic and anti-inflammatory effects. Its potency is attributed to its pyrrole-acetic acid structure, which effectively inhibits COX-1 and COX-2 enzymes.
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| ln Vivo |
In vivo, Zomepirac sodium salt demonstrates potent analgesic and anti-inflammatory efficacy in animal models of pain and inflammation. However, its clinical use was limited by hepatotoxicity, including immune-mediated liver injury.
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| Enzyme Assay |
In vitro enzyme assays for Zomepirac sodium salt involve incubating the compound with cyclooxygenase (COX-1 and COX-2) enzymes and measuring prostaglandin production using ELISA or radiometric methods. The IC₅₀ for inhibition of prostaglandin synthesis is determined from dose-response curves.
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| Cell Assay |
In vitro cell-based assays use cell lines such as macrophages or synovial fibroblasts stimulated with LPS or other inflammatory mediators. Cells are treated with Zomepirac sodium salt, and the production of prostaglandin E₂ (PGE₂) and other inflammatory cytokines is measured by ELISA to evaluate anti-inflammatory activity.
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| Animal Protocol |
In vivo animal studies employ rodent models of inflammation and pain, such as carrageenan-induced paw edema or acetic acid-induced writhing. Zomepirac sodium salt is administered orally or intraperitoneally, and analgesic and anti-inflammatory effects are assessed by measuring paw swelling, pain response, and inflammatory markers.
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| ADME/Pharmacokinetics |
Zomepirac sodium salt has a molecular weight of 313.71 g/mol and formula C₁₄H₁₃ClNNaO₂? (as sodium salt). It is highly soluble in water (100 mg/mL). Following oral administration, it is rapidly absorbed and metabolized primarily in the liver. It has a relatively short half-life and is excreted renally.
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| Toxicity/Toxicokinetics |
Zomepirac sodium salt can cause immune-mediated liver injury, which led to its withdrawal from the market. Hepatotoxicity is a significant concern, with cases of severe liver damage reported. Other side effects include gastrointestinal irritation and renal effects typical of NSAIDs.
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| References | |
| Additional Infomation |
Zomepirac sodium salt was previously marketed as an analgesic but was withdrawn due to hepatotoxicity concerns. It is now primarily used as a research tool for studying prostaglandin synthesis inhibition and NSAID pharmacology. Not currently approved for clinical use.
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| Molecular Formula |
C₁₅H₁₃CLNNAO₃
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|---|---|
| Molecular Weight |
313.71
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| Exact Mass |
313.048
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| CAS # |
64092-48-4
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| Related CAS # |
33369-31-2 (free acid);64092-48-4 (sodium);64092-49-5 (sodium hydrate);
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| PubChem CID |
16220118
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| Appearance |
Light yellow to yellow solid powder
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| Boiling Point |
470.8ºC at 760 mmHg
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| Flash Point |
238.5ºC
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| LogP |
1.51
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
21
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| Complexity |
385
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
SEEXPXUCHVGZGU-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C15H14ClNO3.Na/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1
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| Chemical Name |
sodium;2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetate
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| Synonyms |
McN-2783-21-98Zomax
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : ~100 mg/mL (~318.77 mM)
H2O : ~5 mg/mL (~15.94 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.97 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.63 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. View More
Solubility in Formulation 3: 8.33 mg/mL (26.55 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1877 mL | 15.9383 mL | 31.8766 mL | |
| 5 mM | 0.6375 mL | 3.1877 mL | 6.3753 mL | |
| 10 mM | 0.3188 mL | 1.5938 mL | 3.1877 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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