| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
This compound does not have a specific biological protein target; instead, it is a synthetic chemical that can serve as a precursor to selenol species. Diselenides are known to possess glutathione peroxidase (GPx)-like activity, acting as redox catalysts. The trifluoromethyl groups modulate its electronic properties and lipophilicity, making it a model compound for studying selenium chemistry in the context of oxidative stress.
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| ln Vitro |
The compound's primary “activity” is its ability to react with reactive oxygen species (ROS) and to act as a glutathione peroxidase (GPx) mimic, catalyzing the reduction of harmful hydroperoxides (e.g., H2O2, lipid peroxides) by thiols (e.g., glutathione). This redox-modulating activity is a subject of research in the context of oxidative stress-related diseases. It also serves as a source of selenium for the synthesis of other organoselenium compounds.
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| ln Vivo |
Specific in vivo data for this exact compound is not detailed. Organoselenium compounds and diselenides are generally known for their antioxidant properties and are studied in animal models of oxidative stress, inflammation, and neuroprotection. They are used to explore the therapeutic potential of selenium-based drugs. A typical in vivo protocol would involve administering the compound orally or intraperitoneally to mice to study its effects on biomarkers of oxidative stress.
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| Enzyme Assay |
The GPx-like activity of this diselenide is typically measured in a cell-free coupled enzyme assay. The reaction mixture contains the diselenide compound, a thiol cofactor (e.g., glutathione or 2-mercaptoethanol), and a hydrogen peroxide (H2O2) substrate. The assay is performed in a buffer solution. The reduction of H2O2 to water is coupled to the oxidation of NADPH via glutathione reductase, and the rate of NADPH oxidation is monitored by the decrease in absorbance at 340 nm. The activity is calculated as a percentage of the standard enzyme glutathione peroxidase.
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| Cell Assay |
As a redox-active compound, it is not used in standard cell viability assays. A typical cell-based assay would involve treating immortalized cell lines (e.g., neuronal PC12 cells, hepatocytes) with an oxidative stress-inducing agent (e.g., H2O2 or tBHP) in the presence or absence of this diselenide compound. Cell viability is measured using MTT or Calcein-AM assays to assess the compound's potential cytoprotective effect against oxidative stress-induced cell death.
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| Animal Protocol |
In vivo animal experimental procedures are not provided. A standard protocol would involve using a mouse model of acute oxidative stress, such as carbon tetrachloride (CCl4)-induced hepatotoxicity or ischemia-reperfusion injury. The diselenide compound would be administered (e.g., intraperitoneally) to mice before or after the insult, and markers of liver damage (e.g., serum ALT, AST) and oxidative stress (e.g., MDA, GSH levels) would be measured to assess its protective effects.
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| ADME/Pharmacokinetics |
As a research chemical, specific PK parameters are not studied. As a highly lipophilic and synthetic organoselenium compound, its absorption, distribution, metabolism, and excretion would be complex. Selenium-containing compounds can undergo redox cycling and are often metabolized to methylated selenium species for excretion. Its lipophilicity suggests it could be absorbed and distributed to lipid-rich tissues.
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| Toxicity/Toxicokinetics |
The compound contains selenium, an essential trace element, but organoselenium compounds can be toxic at higher doses. Diselenides can be genotoxic or cytotoxic depending on their structure and the liberation of selenol species. The specific trifluoromethyl-substituted derivative is expected to be a research chemical with potential toxicity and should be handled with appropriate caution in a laboratory setting.
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| Additional Infomation |
This compound is a specialized research-grade chemical. It is of interest in the fields of organoselenium chemistry and chemical biology as a model for studying the mechanism of GPx-mimetics and the role of selenium in redox regulation. It is not a drug candidate or therapeutic agent and has not been approved for any clinical use.
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| Molecular Formula |
C14H8F6SE2
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|---|---|
| Molecular Weight |
448.12372
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| Exact Mass |
449.886
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| CAS # |
53973-75-4
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| PubChem CID |
12738139
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| Appearance |
Light yellow to yellow liquid
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| LogP |
2.998
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
22
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| Complexity |
320
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC(C1C=CC=C([Se][Se]C2C=CC=C(C(F)(F)F)C=2)C=1)(F)F
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| InChi Key |
DGOYKERNPXVRDM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H8F6Se2/c15-13(16,17)9-3-1-5-11(7-9)21-22-12-6-2-4-10(8-12)14(18,19)20/h1-8H
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| Chemical Name |
1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]diselanyl]benzene
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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 (e.g. under nitrogen), 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 (~223.15 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 | 2.2315 mL | 11.1577 mL | 22.3155 mL | |
| 5 mM | 0.4463 mL | 2.2315 mL | 4.4631 mL | |
| 10 mM | 0.2232 mL | 1.1158 mL | 2.2315 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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