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| 10mg |
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| Targets |
SN 2 targets the TRPML3 ion channel as a potent activator. It has an EC50 of 1.8 μM for TRPML3 activation. It also targets dengue virus 2 (DENV2) and Zika virus (ZIKV) as a potent inhibitor. Its dual mechanism of action involves activation of TRPML3 channels and inhibition of viral replication. TRPML3 is a member of the transient receptor potential (TRP) family of ion channels involved in various cellular processes.
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| ln Vitro |
When 10 µM SN-2 is used to activate TRPML3 channels, the conductance of these channels is predicted to be around 10 pS (-80 mV). TRPML3-expressing HEK293 cells were perfused in three different combinations: compound alone (in SBS), compound in ELS, and finally ELS alone. SF-24 and SN-2, two typical chemicals, underwent testing. Among the chemicals, SF-24 is the least effective while SN-2 is one of the most active. Similar to SN-1, SN-2 also exhibits a synergistic effect, increasing the total response by a factor of 10 in comparison to the individual responses and attaining an average current density of up to 3 nA/pF at -80 mV. In epidermal melanocytes, dominant-negative TRPML3(D458K) was very successful in blocking SN-2-induced activity, suggesting that SN-2 opens a channel that is insensitive to TRPML3(D458K). The SN-2 response channel and TRPML3(D458K) may heteromerize, which would explain this dominantly negative effect [1].
In vitro, SN 2 is a potent activator of TRPML3 with an EC50 of 1.8 μM. It is also a potent inhibitor of dengue virus 2 (DENV2) and Zika virus (ZIKV). It had a similar synergistic effect and reached up to 10-fold enhancement of the combined response when compared with the individual responses. Quantitative IC50 values for its antiviral activity are not detailed in the publicly available sources. |
| ln Vivo |
In vivo activity data for SN 2 is limited in publicly available literature. As a compound with potent TRPML3 activation and antiviral activity in vitro, it is hypothesized to exhibit similar effects in animal models. However, specific in vivo efficacy studies, including pharmacokinetic and pharmacodynamic parameters, have not been detailed in the available sources. Further research is needed to fully characterize its in vivo activity and therapeutic potential.
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| Enzyme Assay |
For in vitro cell-free assays, the TRPML3 channel activation activity of SN 2 can be studied using electrophysiology (patch-clamp) or fluorescence-based ion flux assays using membrane preparations or liposomes containing TRPML3 channels. The EC50 for channel activation is calculated from concentration-response curves. Its antiviral activity can be studied using viral enzyme inhibition assays.
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| Cell Assay |
For in vitro cellular assays, TRPML3 channel activation is assessed in cells expressing TRPML3 using calcium imaging or patch-clamp electrophysiology. Its antiviral activity is assessed in virus-infected cell lines (e.g., DENV2 or ZIKV-infected cells). Cells are treated with various concentrations of SN 2, and viral replication is measured by plaque assay or qPCR.
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| Animal Protocol |
For in vivo studies, SN 2 could be administered orally or intraperitoneally in animal models of viral infection (DENV2 or ZIKV) or in models of diseases involving TRPML3 dysfunction. In viral infection models, endpoints include viral load reduction, survival, and tissue pathology.
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| ADME/Pharmacokinetics |
SN 2 (CAS 823218-99-1) has a molecular formula of C17H21NO and a molecular weight of 255.35 g/mol. Chemical name: 5-mesityl-3-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-4-ene. Appearance: typically a solid. Solubility: DMSO 25.53 mg/mL. Storage: powder at -20°C for 3 years, 4°C for 2 years; in solvent at -80°C for 6 months, -20°C for 1 month. Purity: 98%.
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| Toxicity/Toxicokinetics |
No toxicity data is publicly available. As a research compound, standard toxicological profiling would be required for further development.
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| References | |
| Additional Infomation |
SN 2 is a research-grade compound and is not approved for therapeutic use. It serves primarily as a pharmacological tool for studying TRPML3 ion channel function and viral infections. Its mechanism of action involves activation of TRPML3 channels (EC50 = 1.8 μM) and inhibition of dengue virus 2 and Zika virus. No clinical trials have been reported.
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| Molecular Formula |
C17H21NO
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|---|---|
| Molecular Weight |
255.3547
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| Exact Mass |
255.162
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| CAS # |
823218-99-1
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| PubChem CID |
11834987
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
370.8±52.0 °C at 760 mmHg
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| Flash Point |
144.5±23.2 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.665
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| LogP |
4.25
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
19
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| Complexity |
392
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
WKLZNTYMDOPBSE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3
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| Chemical Name |
5-(2,4,6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
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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 : ~100 mg/mL (~391.62 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.79 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (9.79 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.9162 mL | 19.5810 mL | 39.1619 mL | |
| 5 mM | 0.7832 mL | 3.9162 mL | 7.8324 mL | |
| 10 mM | 0.3916 mL | 1.9581 mL | 3.9162 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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