| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
MK-8245 Trifluoroacetate targets stearoyl-CoA desaturase (SCD), specifically SCD1, the rate-limiting enzyme in the biosynthesis of monounsaturated fatty acids. The compound is a liver-targeted inhibitor with IC₅0 values of 1 nM for human SCD1 and 3 nM for rat and mouse SCD1. Inhibition of SCD1 reduces lipid synthesis and improves metabolic parameters.
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| ln Vitro |
In vitro, MK-8245 Trifluoroacetate inhibits human SCD1 with an IC₅0 of 1 nM and rat/mouse SCD1 with an IC₅0 of 3 nM. The compound shows potent enzyme inhibition and liver-targeting properties. It exhibits anti-diabetic and anti-dyslipidemic activity in cell-based assays. Detailed cellular activity data are available in the literature.
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| ln Vivo |
In vivo, MK-8245 Trifluoroacetate demonstrates anti-diabetic and anti-dyslipidemic efficacy. The liver-targeting property of the compound allows for selective inhibition of SCD in the liver, potentially reducing systemic side effects. Further in vivo efficacy studies in animal models of diabetes and dyslipidemia would be needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
The in vitro enzyme assay for SCD uses recombinant human, rat, or mouse SCD1 enzyme and stearoyl-CoA substrate with NADPH. Enzyme activity is measured by quantifying the production of oleoyl-CoA using radioisotope-labeled substrate, HPLC, or mass spectrometry. IC₅0 values are calculated from dose-response curves. The assay typically includes appropriate positive and negative controls.
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| Cell Assay |
For in vitro cell-based assays, hepatocytes or other cell lines are cultured and treated with MK-8245 Trifluoroacetate at various concentrations. SCD activity is measured by assessing the ratio of monounsaturated to saturated fatty acids in cellular lipids by GC-MS or LC-MS. Lipid accumulation may be assessed by Oil Red O staining. Cell viability is assessed to confirm that the compound is not cytotoxic. Experiments are typically performed in triplicate.
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| Animal Protocol |
In vivo animal studies for MK-8245 Trifluoroacetate typically involve mouse or rat models of diabetes (such as db/db mice or high-fat diet-fed mice) or dyslipidemia. The compound is administered orally at various doses. Metabolic parameters are measured including blood glucose, insulin, triglycerides, cholesterol, and free fatty acids. Liver SCD activity is assessed by measuring fatty acid composition in liver tissue. Efficacy is evaluated by improvement in metabolic parameters.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of MK-8245 Trifluoroacetate indicate liver-targeting properties. The compound has molecular weight 581.27 and molecular formula C1₉H1₇BrF4N₆O₆. The IUPAC name is 2,2,2-trifluoroacetic acid compound with 2-(5-(3-(4-(2-bromo-5-fluorophenoxy)piperidin-1-yl)isoxazol-5-yl)-2H-tetrazol-2-yl)acetic acid (1:1). Further detailed PK parameters would require dedicated studies.
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| Toxicity/Toxicokinetics |
Toxicological data for MK-8245 Trifluoroacetate are not well characterized in the public domain. As a research chemical, standard safety precautions should be observed. The compound is for laboratory use only and not intended for human therapeutic applications. SCD inhibitors as a class may have potential effects on lipid metabolism and skin barrier function. The liver-targeting approach may reduce systemic toxicities. Comprehensive toxicity profiling would be required for therapeutic development.
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| References | |
| Additional Infomation |
MK-8245 Trifluoroacetate (CAS# 1415559-41-9) is a liver-targeting SCD1 inhibitor. It has IC₅0 values of 1 nM (human SCD1), 3 nM (rat SCD1), and 3 nM (mouse SCD1). The compound exhibits anti-diabetic and anti-dyslipidemic efficacy and is used in metabolic disease research. It is not approved for clinical use.
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| Molecular Formula |
C19H17BRF4N6O6
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|---|---|
| Molecular Weight |
581.272496938705
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| Exact Mass |
580.033
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| CAS # |
1415559-41-9
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| Related CAS # |
MK-8245;1030612-90-8
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| PubChem CID |
66577003
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.06
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
15
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
36
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| Complexity |
656
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
LEBPCMXFQYATAK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H16BrFN6O4.C2HF3O2/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27;3-2(4,5)1(6)7/h1-2,7-8,11H,3-6,9H2,(H,26,27);(H,6,7)
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| Chemical Name |
2-[5-[3-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid;2,2,2-trifluoroacetic 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 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) |
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 | 1.7204 mL | 8.6019 mL | 17.2037 mL | |
| 5 mM | 0.3441 mL | 1.7204 mL | 3.4407 mL | |
| 10 mM | 0.1720 mL | 0.8602 mL | 1.7204 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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