| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| Other Sizes |
| Targets |
COX-2 5-LO
The primary targets of Tebufelone are cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX). COX-2 is a key enzyme in the production of prostaglandins, which mediate inflammation and pain, while 5-LOX is involved in the synthesis of leukotrienes, another class of inflammatory mediators. By inhibiting both pathways, Tebufelone provides a dual mechanism of action for reducing inflammation. |
|---|---|
| ln Vitro |
In vitro, Tebufelone acts as a selective dual inhibitor of COX-2 and 5-LOX. Its inhibitory activity against these enzymes contributes to its potent anti-inflammatory and pain-reducing properties. The compound is a research tool used to study the roles of the COX and LOX pathways in inflammation.
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| ln Vivo |
In vivo, Tebufelone displays potent anti-inflammatory, pain-reducing, and antipyretic properties. As an NSAID, it is used in animal models to study its effects on inflammation and pain. Its dual inhibition of COX-2 and 5-LOX distinguishes it from traditional NSAIDs that primarily target COX enzymes.
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| Enzyme Assay |
In vitro enzyme assays for Tebufelone involve measuring its inhibition of COX-2 and 5-LOX activities. COX-2 activity is typically measured by the conversion of arachidonic acid to prostaglandins, while 5-LOX activity is measured by the conversion of arachidonic acid to leukotrienes. The compound's IC50 values for these enzymes are determined from concentration-response curves.
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| Cell Assay |
Cellular assays for Tebufelone may involve the use of inflammatory cells, such as macrophages or neutrophils, to assess its effects on the production of prostaglandins and leukotrienes. Cells are stimulated with lipopolysaccharide (LPS) or other inflammatory agents, and the production of these mediators is measured in the presence of the compound.
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| Animal Protocol |
In vivo animal studies for Tebufelone are typically conducted in rodent models of inflammation and pain. The compound is administered orally or via injection, and its effects on inflammatory markers, pain responses, and body temperature are assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Tebufelone are not extensively detailed in the available literature. It has a molecular weight of 300.44 and a logP of 4.973. It is a white to off-white solid powder. For research purposes, it is typically stored as a powder at -20°C for up to 3 years or in solution at -80°C for up to 6 months.
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| Toxicity/Toxicokinetics |
There is no specific toxicity data reported for Tebufelone in the available literature. As a research chemical, it should be handled with standard safety precautions. It is not approved for human therapeutic use.
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| References | |
| Additional Infomation |
Tebufelone is a small molecule drug. Its monoisotopic molecular weight is 300.21 Da. (Structure can be found in the first source.)
Tebufelone (NE-11740) is a nonsteroidal anti-inflammatory agent and a selective dual inhibitor of COX-2 and 5-lipoxygenase. It has a molecular formula of C20H28O2 and a molecular weight of 300.44. It displays potent anti-inflammatory, pain-reducing, and antipyretic properties. |
| Molecular Formula |
C20H28O2
|
|---|---|
| Molecular Weight |
300.44
|
| Exact Mass |
300.209
|
| CAS # |
112018-00-5
|
| PubChem CID |
60542
|
| Appearance |
White to off-white solid powder
|
| Density |
0.992g/cm3
|
| Boiling Point |
383.6ºC at 760mmHg
|
| Flash Point |
163.8ºC
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| Vapour Pressure |
1.97E-06mmHg at 25°C
|
| Index of Refraction |
1.515
|
| LogP |
4.973
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
22
|
| Complexity |
403
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CCCC#C
|
| InChi Key |
ZHXUEUKVDMWSKV-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3
|
| Chemical Name |
1-(3,5-ditert-butyl-4-hydroxyphenyl)hex-5-yn-1-one
|
| Synonyms |
NE-11740; NE11740; ebufelone; 112018-00-5; Tebufelona; Tebufelonum; NE 11740;
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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 | 3.3285 mL | 16.6423 mL | 33.2845 mL | |
| 5 mM | 0.6657 mL | 3.3285 mL | 6.6569 mL | |
| 10 mM | 0.3328 mL | 1.6642 mL | 3.3285 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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