| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
Isoxepac, as an NSAID, is believed to exert its effects by inhibiting prostaglandin synthesis. Its primary targets are likely the cyclooxygenase (COX) enzymes, COX-1 and COX-2. By inhibiting these enzymes, it reduces the production of pro-inflammatory prostaglandins.
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|---|---|
| ln Vitro |
Isoxepac is a nonsteroidal anti-inflammatory agent that inhibits prostaglandin synthesis in vitro. Its activity is typically assessed by measuring its ability to inhibit COX enzymes or by evaluating its effects on inflammatory mediators in cell-based systems. It has been studied in various in vitro models.
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| ln Vivo |
In vivo, isoxepac has been shown to inhibit carrageenan-induced paw edema, a standard model of acute inflammation. It also inhibits adjuvant-induced polyarthritis in animal models. Its analgesic and antipyretic activities have been confirmed in various animal studies. It has been studied in rats, rabbits, dogs, and rhesus monkeys.
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| Enzyme Assay |
The in vitro enzyme assay for isoxepac involves measuring its ability to inhibit cyclooxygenase (COX) activity. This is typically done using purified COX-1 or COX-2 enzymes and assessing the production of prostaglandins from arachidonic acid. The IC50 values for COX inhibition are determined.
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| Cell Assay |
In vitro cell-based assays for isoxepac involve treating inflammatory cells, such as macrophages, with the compound and measuring the production of prostaglandins and other inflammatory cytokines. The compound's effect on COX-2 expression and activity can also be studied in these cellular models.
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| Animal Protocol |
In vivo animal experiments for isoxepac include the carrageenan-induced paw edema test in rats, where the compound is administered orally prior to the induction of inflammation to assess its anti-edema effect. Adjuvant-induced arthritis models in rats are used to study its effects on chronic inflammation and joint destruction.
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| ADME/Pharmacokinetics |
Isoxepac is an orally active compound. Its pharmacokinetics, including absorption, distribution, metabolism, and excretion, have been studied in animal models. As an NSAID, it is typically well-absorbed and extensively metabolized in the liver.
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| Toxicity/Toxicokinetics |
As an NSAID, isoxepac's toxicity profile is likely similar to other members of its class. Common adverse effects include gastrointestinal irritation and ulceration. Its safety has been evaluated in preclinical studies. It is not a widely used clinical drug.
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| Additional Infomation |
Isoxepac is a dibenzoxazole compound.
Isoxepac is a research compound that has been studied for its anti-inflammatory properties. It is an impurity of the antihistamine olopatadine, which may be relevant for quality control. Its development as a drug did not lead to widespread clinical use, but it serves as a tool compound. |
| Molecular Formula |
C16H12O4
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|---|---|
| Molecular Weight |
268.26408
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| Exact Mass |
268.073
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| CAS # |
55453-87-7
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| Related CAS # |
Isoxepac-d6;2012598-71-7
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| PubChem CID |
41448
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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 |
528.2±50.0 °C at 760 mmHg
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| Melting Point |
130-132ºC
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| Flash Point |
203.8±23.6 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.636
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| LogP |
2.64
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
20
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| Complexity |
392
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(O)CC1=CC=C(C2=C1)OCC3=CC=CC=C3C2=O
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| InChi Key |
QFGMXJOBTNZHEL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)
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| Chemical Name |
2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)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) |
DMSO : ~100 mg/mL (~372.77 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.32 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 25.0 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (9.32 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (9.32 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.7277 mL | 18.6386 mL | 37.2773 mL | |
| 5 mM | 0.7455 mL | 3.7277 mL | 7.4555 mL | |
| 10 mM | 0.3728 mL | 1.8639 mL | 3.7277 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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