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| Targets |
The molecular target of Se-DMC has not been definitively identified, but its effects are mediated through multiple mechanisms. It likely acts through the modulation of oxidative stress and inflammatory pathways. The compound's antioxidant activity is a key component of its mechanism, as it can scavenge free radicals and reduce oxidative damage. Its antinociceptive effect in the acetic acid test was reversed by the pretreatment of mice with different serotonergic antagonists (WAY100635, ketanserin, and pindolol), indicating that the serotonergic system is involved in its pain-relieving effects. Furthermore, its ability to reduce ear edema and protect against the increase in myeloperoxidase (MPO) activity, a marker of neutrophil infiltration, confirms its anti-inflammatory activity. The compound's multi-target actions, involving both the serotonergic and glutamatergic systems, as well as its anti-inflammatory and antioxidant properties, contribute to its overall pharmacological profile.
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| ln Vitro |
Se-DMC has been shown to attenuate CFA-induced inflammatory response, nociception, and neurobehavioral deficits in mice. In vitro experiments revealed that it exerts antioxidant activity. Nociception induced by glutamate or acetic acid was reduced by Se-DMC. These studies demonstrate its potential in treating pain and inflammation.
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| ln Vivo |
In vivo, Se-DMC reduces CFA-induced inflammatory response, pain sensitivity (nociception), and neurobehavioral deficits in mice. It diminishes paw edema formation induced by glutamate and decreases ear edema formation induced by croton oil. These findings confirm its anti-inflammatory, antinociceptive, and anti-edematogenic effects in living organisms.
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| Enzyme Assay |
Non-cell-based assays for Se-DMC involve measuring its antioxidant activity using chemical assays such as DPPH radical scavenging, ABTS radical scavenging, or ferric reducing antioxidant power (FRAP). The compound's ability to inhibit lipid peroxidation, measured by thiobarbituric acid reactive species (TBARS) levels, or its glutathione S-transferase (GST)-like activity, can also be assessed. These cell-free assays are crucial for characterizing its antioxidant properties.
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| Cell Assay |
Cell-based assays for Se-DMC would involve treating immune cells (e.g., macrophages) or neuronal cells with the compound and measuring markers of inflammation (e.g., TNF-α, IL-6, NO) and oxidative stress (e.g., ROS). Cells could be stimulated with LPS or other inflammatory stimuli to model the inflammatory response.
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| Animal Protocol |
In in vivo animal studies, male Swiss mice are orally pretreated with Se-DMC (1, 10, and 50 mg/kg), meloxicam (50 mg/kg), or vehicle 30 minutes prior to acetic acid or glutamate tests. Inflammatory models, such as ear edema induced by croton oil, are also used. The contribution of glutamatergic and serotonergic systems is investigated using specific antagonists. These studies are essential for evaluating its efficacy and mechanism of action in vivo.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Se-DMC are not available in the public literature.
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| Toxicity/Toxicokinetics |
Toxicological data for Se-DMC are not available in the public literature.
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| References |
[1]. Wilhelm EA, et al. Se-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl] 4-Chlorobenzoselenolate Attenuates Inflammatory Response, Nociception, and Affective Disorders Related to Rheumatoid Arthritis in Mice. ACS Chem Neurosci. 2021 Oct 6;12(19):3760-3771.
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| Additional Infomation |
Se-DMC is a research compound with potential applications in inflammatory and metabolic diseases. Its selenium content may contribute to its antioxidant properties. It is an organoselenium compound studied for its multi-target actions, including modulation of serotonergic and glutamatergic systems, as well as anti-inflammatory and antioxidant effects. It is intended for research use only.
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| Molecular Formula |
C13H15CLO3SE
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|---|---|
| Molecular Weight |
333.669402360916
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| Exact Mass |
333.987
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| CAS # |
2098850-81-6
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| PubChem CID |
163323735
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| Appearance |
Typically exists as solid at room temperature
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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 |
4
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| Heavy Atom Count |
18
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| Complexity |
301
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1(OCC(O1)C[Se]C(=O)C2=CC=C(C=C2)Cl)C
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| InChi Key |
KURKEPPKABHBNC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H15ClO3Se/c1-13(2)16-7-11(17-13)8-18-12(15)9-3-5-10(14)6-4-9/h3-6,11H,7-8H2,1-2H3
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| Chemical Name |
Se-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-chlorobenzenecarboselenoate
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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) |
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 | 2.9970 mL | 14.9849 mL | 29.9697 mL | |
| 5 mM | 0.5994 mL | 2.9970 mL | 5.9939 mL | |
| 10 mM | 0.2997 mL | 1.4985 mL | 2.9970 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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