| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
MLS000545091 targets human epithelial 15-lipoxygenase-2 (15-LOX-2), an enzyme that oxidizes polyunsaturated fatty acids to produce lipid mediators involved in inflammation and cell signaling. Inhibition of 15-LOX-2 may have therapeutic potential in inflammatory and metabolic disorders.
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| ln Vitro |
In vitro, MLS000545091 inhibits h15-LOX-2 with an IC50 of 2.6 µM. It is a potent and selective mixed-type inhibitor of the enzyme, making it a valuable tool for studying the biological functions of 15-LOX-2.
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| ln Vivo |
In vivo studies for MLS000545091 are limited. As a research tool, it is primarily used in cell-based and biochemical assays. Detailed in vivo efficacy data have not been published.
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| Enzyme Assay |
The in vitro enzyme inhibition assay for MLS000545091 involves measuring the activity of purified human 15-LOX-2 in the presence of the compound. The enzyme catalyzes the oxygenation of a fatty acid substrate such as arachidonic acid or linoleic acid. The reaction is monitored by HPLC or spectrophotometry, and the IC50 is determined.
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| Cell Assay |
Cellular assays for MLS000545091 involve treating cells that express 15-LOX-2 with the compound and measuring the production of 15-LOX-2-derived lipid mediators, such as 15-HETE. The inhibition of mediator production is quantified by LC-MS/MS or ELISA.
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| Animal Protocol |
In vivo animal studies for MLS000545091 are not well-documented. As a research compound, it may be evaluated in animal models of inflammation, but specific protocols have not been published.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of MLS000545091 have not been extensively characterized. It has a molecular weight of 262.73 g/mol and a molecular formula of C14H15ClN2O. It is soluble in DMSO at 20.83 mg/mL.
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| Toxicity/Toxicokinetics |
Toxicity data for MLS000545091 are limited. It is a research-grade compound, and comprehensive toxicological evaluations have not been published.
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| References | |
| Additional Infomation |
MLS000545091 is a chemical probe for studying 15-LOX-2 biology. It has not entered clinical trials. Its mechanism involves mixed-type inhibition of 15-LOX-2, making it a valuable tool for investigating the role of this enzyme in inflammation and metabolism.
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| Molecular Formula |
C14H15CLN2O
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|---|---|
| Molecular Weight |
262.734702348709
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| Exact Mass |
262.087
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| CAS # |
322666-76-2
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| PubChem CID |
767103
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| Appearance |
White to off-white solid powder
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| LogP |
4.2
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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 |
2
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| Heavy Atom Count |
18
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| Complexity |
263
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C(C2CCCCC2)=NN=C1C1=CC=C(Cl)C=C1
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| InChi Key |
ASRSXDRAEGLYDZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H15ClN2O/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h6-10H,1-5H2
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| Chemical Name |
2-(4-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole
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| Synonyms |
MLS 000545091; MLS-000545091; MLS000545091
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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 : ~20.83 mg/mL (~79.28 mM)
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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 | 3.8062 mL | 19.0309 mL | 38.0619 mL | |
| 5 mM | 0.7612 mL | 3.8062 mL | 7.6124 mL | |
| 10 mM | 0.3806 mL | 1.9031 mL | 3.8062 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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