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| Targets |
S3969 targets the human epithelial sodium channel (hENaC), a member of the degenerin/epithelial sodium channel (DEG/ENaC) family. ENaC is a sodium-selective ion channel that plays a critical role in regulating sodium transport across epithelial cells, thereby controlling fluid balance, blood pressure, and airway surface liquid volume. S3969 is a potent and reversible activator of hENaC, with an apparent EC50 of 1.2 μM. By activating ENaC, S3969 increases sodium influx, which can modulate various physiological processes.
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| ln Vitro |
In heterologous cells, S3969 fully and reversibly activates hENaC. S3969 has an EC50 of 1.2±0.2 μM, 1.2±0.1 μM, 1.2±0.5, 0.4±0.1, and 1.2±0.4 μM and activates δβγ, αβγ, α2βγ, δ2βγ, and αβG37Sγ hENaC[1]. At doses that maximally activate either δβη or αβη hENaC, S3969 does not activate αβγ mouse ENaC (mENaC). Low levels of αβγ mENaC activation were noted at high S3969 concentrations (100-300 μ m) [1]. High potency (potential EC50 ∼1 μ m for αβγ hENaC and δβγ hENaC, but not for αβγ mENaC) and efficiency (600–700% activation of hENaC at 30 μ m) are demonstrated by S3969 against wild-type hENaC [1]. The αF61L mutant ENaC is more stimulated by the ENaC activator S3969 (10 µM) than is the wild-type ENaC[2].
In vitro, S3969 is a potent activator of hENaC, with an EC50 of 1.2 μM. Its activity is typically measured using electrophysiological techniques, such as patch-clamp, on cells expressing hENaC. The compound increases the sodium current through the channel in a concentration-dependent manner. It has been shown to stimulate the αF61L mutant ENaC more than wild-type ENaC. These in vitro studies confirm that S3969 is a potent and reversible activator of hENaC. |
| ln Vivo |
In vivo, S3969 is used as a research tool to study the role of ENaC in sodium transport, fluid balance, and blood pressure regulation. By activating ENaC, it can modulate sodium reabsorption in the kidney and other epithelia. However, specific in vivo protocols and results, such as efficacy in animal models of hypertension, are not detailed in the available literature. Its use is limited to research applications.
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| Enzyme Assay |
The in vitro assays for S3969 measure its activation of hENaC. The most common assay is the patch-clamp electrophysiology assay, which directly measures the sodium current through hENaC. Cells expressing hENaC are voltage-clamped, and the sodium current is measured. S3969 is applied at various concentrations, and the increase in the sodium current is measured. The EC50 is determined from the dose-response curve.
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| Cell Assay |
In vitro cell-based assays for S3969 are conducted using cells expressing hENaC. In a typical assay, cells are seeded in multi-well plates, and the sodium current is measured using a fluorescent membrane potential dye or by using a plate-based electrophysiology system. S3969 is added at various concentrations, and the change in fluorescence or current is measured. The EC50 is determined from the dose-response curve. These cell-based assays confirm that S3969 is a potent activator of hENaC.
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| Animal Protocol |
In vivo animal experiments for S3969 are not extensively described in the available literature. As a research compound, its use in vivo would be determined by the specific research question being addressed. A typical protocol for studying an ENaC activator like S3969 would involve its administration to animal models of hypertension or fluid balance disorders. The compound's effects on blood pressure and electrolyte balance would be assessed. However, specific protocols for S3969 are not detailed.
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| ADME/Pharmacokinetics |
S3969 has a molecular weight of 320.45 g/mol and a molecular formula of C17H24N2O2S. It has a purity of ≥95%. It is soluble in DMSO and other organic solvents. For storage, it is recommended to keep the powder at -20°C. Detailed pharmacokinetic properties such as absorption, distribution, metabolism, and excretion (ADME) have not been extensively characterized. As a research compound, its stability is maintained by proper storage as a dry powder.
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| Toxicity/Toxicokinetics |
Detailed toxicity data for S3969 is not provided in standard product descriptions. As a research compound, its toxicity profile has not been extensively characterized. S3969 is an activator of ENaC, and its toxicity would be related to its effects on sodium transport in normal tissues. However, comprehensive toxicological studies have not been reported. As with all research chemicals, standard laboratory safety precautions should be followed when handling S3969. Its use is limited to research applications and it is not intended for human or veterinary use.
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| References |
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| Additional Infomation |
S3969 is a research compound and is not approved for any clinical or therapeutic use. It is a potent and reversible activator of the human epithelial sodium channel (hENaC), with an apparent EC50 of 1.2 μM. It is used as a research tool to study the function of ENaC in sodium transport, fluid balance, and blood pressure regulation. Its mechanism of action involves directly activating hENaC, leading to increased sodium influx. S3969 is a valuable tool for studying the physiology and pharmacology of ENaC.
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| Molecular Formula |
C17H24N2O2S
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| Molecular Weight |
320.449663162231
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| Exact Mass |
320.155
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| CAS # |
1027997-01-8
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| PubChem CID |
46861536
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
3.3
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
22
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| Complexity |
365
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(NCCO)(=O)C(SC1C2=C(NC=1)C=CC=C2C)CC(C)C
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| InChi Key |
FTNIWEHRMFLJKE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H24N2O2S/c1-11(2)9-14(17(21)18-7-8-20)22-15-10-19-13-6-4-5-12(3)16(13)15/h4-6,10-11,14,19-20H,7-9H2,1-3H3,(H,18,21)
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| Chemical Name |
N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide
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| Synonyms |
S3969 S-3969 S 3969
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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) |
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 | 3.1206 mL | 15.6031 mL | 31.2061 mL | |
| 5 mM | 0.6241 mL | 3.1206 mL | 6.2412 mL | |
| 10 mM | 0.3121 mL | 1.5603 mL | 3.1206 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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