| Size | Price | |
|---|---|---|
| 100mg | ||
| Other Sizes |
| Targets |
S16961 is a nicotinic receptor agonist (activator). The compound is a diacylglycerol-nicotinate prodrug that is designed to bypass the metabolic pathways causing acute nicotinic acid spikes, thereby providing sustained nicotinic receptor activation without confounding side effects.
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|---|---|
| ln Vitro |
S16961 acts as a nicotinic receptor agonist in receptor binding and functional assays. It has been tested in a variety of cell lines and has not been shown to cause cytotoxicity. The compound's prodrug design allows for controlled release of nicotinic acid activity, potentially reducing the flushing side effects associated with immediate-release nicotinic acid formulations.
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| ln Vivo |
S16961 produces strong antiparkinsonian effects in preclinical models, improving motor deficits through enhanced dopaminergic neurotransmission. It is also used to investigate prolactin regulation, reward circuits, and antipsychotic drug mechanisms. As a nicotinic receptor agonist, it may modulate neurotransmitter release and dopaminergic pathways in the central nervous system.
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| Enzyme Assay |
For nicotinic receptor binding assays, membranes prepared from cells expressing nicotinic receptors are incubated with radiolabeled ligands (e.g., [³H]-epibatidine) and varying concentrations of S16961. Specific binding is determined by subtracting non-specific binding in the presence of excess unlabeled ligand. IC50 values are calculated from competition curves.
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| Cell Assay |
Cellular assays are performed using cell lines expressing nicotinic acetylcholine receptors. Cells are treated with S16961 at various concentrations, and receptor activation is measured by calcium influx assays using fluorescent calcium indicators (e.g., Fluo-4) or by electrophysiological patch-clamp recordings to assess ion channel activity.
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| Animal Protocol |
In preclinical models, S16961 is administered via appropriate routes (typically oral or intraperitoneal) to evaluate its antiparkinsonian effects. Motor deficits are assessed using behavioral tests such as rotarod, open field, or pole tests. Dopaminergic neurotransmission is evaluated by measuring neurotransmitter levels in brain tissue via microdialysis or HPLC.
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| ADME/Pharmacokinetics |
As a diacylglycerol-nicotinate prodrug, S16961 is expected to have improved pharmacokinetic properties compared to immediate-release nicotinic acid, including reduced peak plasma concentrations of free nicotinic acid and sustained exposure. The compound has a molecular weight of 674.01 and high purity (99.85%).
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| Toxicity/Toxicokinetics |
S16961 has been tested in a variety of cell lines and has not been shown to cause any toxicity. In preclinical studies, the compound was well-tolerated with no significant adverse effects reported at therapeutic doses.
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| Additional Infomation |
S16961 is a nicotinic receptor agonist developed for hyperlipidemia treatment in France (PO). It is a diacylglycerol-nicotinate prodrug that provides sustained lipid-lowering without confounding side effects. The compound also shows antiparkinsonian effects in preclinical models and is used to study prolactin regulation, reward circuits, and antipsychotic mechanisms.
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| Molecular Formula |
C41H71NO6
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|---|---|
| Molecular Weight |
674.005553483963
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| Exact Mass |
673.528
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| CAS # |
153874-14-7
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| PubChem CID |
178041
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| Appearance |
White to off-white solid powder
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| LogP |
15.2
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
37
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| Heavy Atom Count |
48
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| Complexity |
759
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C1=CC=CN=C1)OCC(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O
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| InChi Key |
HOTHIZPJZICUAJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C41H71NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-39(43)46-35-38(36-47-41(45)37-30-29-33-42-34-37)48-40(44)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34,38H,3-28,31-32,35-36H2,1-2H3
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| Chemical Name |
2,3-di(hexadecanoyloxy)propyl pyridine-3-carboxylate
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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 | 1.4837 mL | 7.4183 mL | 14.8366 mL | |
| 5 mM | 0.2967 mL | 1.4837 mL | 2.9673 mL | |
| 10 mM | 0.1484 mL | 0.7418 mL | 1.4837 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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