| 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 |
NS3861 targets nicotinic acetylcholine receptors (nAChRs). It binds with high affinity to several heteromeric subtypes, with the highest affinity for α3β4 (Ki = 0.62 nM). It also shows significant affinity for α4β4 (Ki = 7.8 nM), α3β2 (Ki = 25 nM), and α4β2 (Ki = 55 nM) nAChRs. Its agonist activity modulates cholinergic signaling.
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| ln Vitro |
In HEK293 cell lines, NS3861 exhibits the opposite β-subunit preference and total lack of activation at α4-containing receptors. With EC50s of 1.7 and 0.15 μM for the α3β2 and α3β4 receptors, respectively, NS3861 exhibits greater efficacy at the α3β2 receptor than the α3β4 receptor. It selectively activates α3-containing nAChRs but not α4-containing ones[1]. In nAChRs expressed in α3β4, NS3861 exhibits partial agonist characteristics and a high affinity[2].
In vitro, NS3861 acts as an agonist at nAChRs. Its affinity for different receptor subtypes is well-characterized: Ki values are 0.62 nM (α3β4), 7.8 nM (α4β4), 25 nM (α3β2), and 55 nM (α4β2). This profile makes it a valuable tool for studying the pharmacology and function of these specific nAChR subtypes. |
| ln Vivo |
In vivo, NS3861 is a research tool for modulating neuronal ion channel activity. Its effects on voltage-gated sodium channels have also been studied. However, its primary use is as a pharmacological probe to understand the role of different nAChR subtypes in the central nervous system.
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| Enzyme Assay |
Non-cell-based assays for NS3861 involve radioligand binding studies to determine its affinity (Ki) for various nAChR subtypes. Membrane preparations from cells expressing specific nAChR subtypes are incubated with a radiolabeled ligand (e.g., [3H]-epibatidine) and varying concentrations of the compound. Ki values are calculated from displacement curves.
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| Cell Assay |
For in vitro cellular assays, cells expressing specific nAChR subtypes (e.g., α3β4) are treated with NS3861. Its agonist activity is typically assessed by measuring calcium influx using fluorescent dyes (e.g., Fluo-4) or through electrophysiological recordings. The potency (EC50) of the compound for receptor activation can be determined from these functional assays.
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| Animal Protocol |
In vivo animal studies with NS3861 would involve administering the compound to rodents (e.g., via intraperitoneal injection) to study its effects on behavior or neurochemistry. Given its high affinity for α3β4 and α4β2 nAChRs, it could be used to investigate the role of these receptors in learning, memory, addiction, or pain.
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| ADME/Pharmacokinetics |
NS3861 has a molecular weight of 284.22 g/mol and a molecular formula of C12H14BrNS. Its CAS number is 216853-59-7. It is typically supplied with a purity of ≥99%. It is a research compound for neuronal signaling studies and should be stored under recommended conditions.
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| Toxicity/Toxicokinetics |
The toxicity profile of NS3861 is not extensively detailed. As a potent nAChR agonist, its toxicity would be related to its pharmacological activity. It is for research use only and not for human consumption. Standard safety precautions for handling potent bioactive compounds should be followed.
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| References | |
| Additional Infomation |
Structure in the first source
NS3861 (CAS#: 216853-59-7) is a high-affinity agonist for nAChRs, particularly the α3β4 and α4β2 subtypes. Its distinct binding profile makes it a key pharmacological tool for studying the function of these specific nAChRs. It is used in research to understand the role of nAChRs in various neurological processes and diseases. |
| Molecular Formula |
C12H14BRNS
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|---|---|
| Molecular Weight |
284.22
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| Exact Mass |
283.003
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| CAS # |
216853-59-7
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| Related CAS # |
NS3861 fumarate;216853-60-0
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| PubChem CID |
9838728
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
3.1
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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 |
15
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| Complexity |
291
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(SC=CC=1Br)C1=CC2N(C)C(CC2)C1
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| InChi Key |
ZJCNRVHZJADROC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H14BrNS/c1-14-9-2-3-10(14)7-8(6-9)12-11(13)4-5-15-12/h4-6,9-10H,2-3,7H2,1H3
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| Chemical Name |
3-(3-bromothiophen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (351.84 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.80 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 (8.80 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (8.80 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.5184 mL | 17.5920 mL | 35.1840 mL | |
| 5 mM | 0.7037 mL | 3.5184 mL | 7.0368 mL | |
| 10 mM | 0.3518 mL | 1.7592 mL | 3.5184 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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