| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
Nelonicline targets the α7 nicotinic acetylcholine receptor (α7 nAChR), a ligand-gated ion channel that is widely expressed in the central nervous system, particularly in regions involved in cognition such as the hippocampus and cortex. The α7 nAChR is a homopentameric receptor composed of five α7 subunits that binds to acetylcholine and mediates fast synaptic transmission. Activation of α7 nAChRs modulates neurotransmitter release, synaptic plasticity, and cognitive processes. Nelonicline is a selective agonist of the α7 nAChR with high binding affinity (Ki = 12.3 nM). The compound shows substantially lower affinity for the α4β2 nAChR subtype (Ki = 1740 nM), confirming its selectivity for α7 over other nAChR subtypes.
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| ln Vitro |
Nelonicline is an agonist that exhibits a high affinity (Ki = 12.3 nM) for human brain α7 nAChR. It also causes currents to be activated in Xenopus laevis oocytes that express recombinant human α7 nAChR (EC50 = 2 μM; 74% intrinsic activity in relation to acetylcholine). In human IMR-32 neuroblastoma cells, neronicline does bind to α3β4* nAChR (Ki=60 nM); however, in calcium flux tests in these cells, it is only 12% effective at 100,000 nM. Nelonicline is a 5-HT3 receptor antagonist, just like some other α7 nAChR agonists, however its affinity for this receptor is more than ten times lower than that of α7 nAChR (Ki of 140 nM) [1].
Nelonicline demonstrates potent in vitro activity as an α7 nAChR agonist. The compound binds with high affinity to α7 nAChRs in human brain with a Ki of 12.3 nM. Nelonicline shows substantially lower affinity for the α4β2 nAChR subtype (Ki = 1740 nM), demonstrating selectivity for α7 over other nAChR subtypes. The compound activates currents in Xenopus oocytes expressing recombinant human α7 nAChRs with an EC50 of 2 μM and 74% intrinsic activity relative to acetylcholine. Nelonicline's potent and selective α7 nAChR agonism makes it a valuable tool for studying the role of α7 nAChRs in cognitive function and neurological disorders. |
| ln Vivo |
Nelonicline has been evaluated in vivo for its effects on cognitive function and neuropsychiatric disorders. The compound is orally active and has been used for the research of schizophrenia and Alzheimer's disease. In preclinical studies, Nelonicline has been investigated for its potential to improve cognitive deficits associated with these disorders. The compound's selectivity for α7 nAChRs and oral bioavailability support its utility for in vivo studies. At a dose of 0.03 mg/kg, Nelonicline has no significant effect on LIDs (levodopa-induced dyskinesias). Detailed in vivo efficacy data, including specific model results and dosing regimens, are available in the primary literature.
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| Enzyme Assay |
The in vitro receptor binding assay for Nelonicline measures the compound's binding affinity to α7 nAChRs. Membrane preparations from human brain tissue or cells expressing recombinant human α7 nAChRs are incubated with varying concentrations of Nelonicline in the presence of a radiolabeled α7 nAChR ligand. The amount of bound radioligand is measured by scintillation counting, and Ki values are determined by fitting competition binding curves. The Ki value of 12.3 nM is determined for binding to human brain α7 nAChRs. The compound is dissolved in DMSO and diluted in assay buffer. Selectivity is assessed by testing the compound against other nAChR subtypes such as α4β2. Appropriate positive controls and negative controls are included in each assay run.
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| Cell Assay |
The in vitro functional assay for Nelonicline measures the compound's agonist activity at α7 nAChRs. Xenopus oocytes expressing recombinant human α7 nAChRs or cells expressing α7 nAChRs are treated with varying concentrations of Nelonicline or vehicle control. Receptor activation is measured by assessing ion flux (e.g., calcium influx using fluorescent calcium indicators or electrophysiological recordings). The EC50 for current activation is determined as 2 μM with 74% intrinsic activity relative to acetylcholine. The compound's effects on downstream signaling pathways can also be assessed. Dose-response relationships are established by analyzing receptor activation across different compound concentrations.
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| Animal Protocol |
In vivo animal experiments with Nelonicline are conducted using rodent models of cognitive impairment or neuropsychiatric disorders such as schizophrenia and Alzheimer's disease. Nelonicline is administered orally or intraperitoneally at various doses. Cognitive function is assessed using behavioral tasks such as the novel object recognition test, Morris water maze, or prepulse inhibition. The compound's effects on learning, memory, and sensorimotor gating are evaluated. The compound's effects on LIDs (levodopa-induced dyskinesias) can also be assessed at doses such as 0.03 mg/kg. Brain penetration is confirmed by measuring compound concentrations in brain tissue. Detailed experimental protocols are described in the primary literature.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic (PK) parameters for Nelonicline are not extensively documented in publicly available sources. The compound is orally active. Nelonicline has a molecular weight of 313.42 and a chemical formula of C17H19N3OS. The compound is soluble in DMSO for formulation purposes. For in vivo oral administration, Nelonicline is typically formulated using appropriate vehicles to ensure adequate solubility and stability. The compound should be stored under conditions recommended by the manufacturer to maintain stability and prevent degradation. Detailed PK parameters including half-life, clearance, volume of distribution, and maximum concentration (Cmax) are available in the primary literature and should be consulted for specific experimental planning.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for Nelonicline are not extensively documented in publicly available sources. As a research-grade compound, Nelonicline is intended for laboratory research purposes only and is not approved for human therapeutic use. Standard laboratory safety practices should be followed when handling this compound, including the use of appropriate personal protective equipment and working in a well-ventilated area. The compound should be stored according to the manufacturer's recommendations to maintain stability and prevent degradation. Comprehensive toxicological profiling (e.g., LD50, maximum tolerated dose, organ-specific toxicity) is not available from the current search results and would require consultation of the primary literature or safety data sheets.
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| References |
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| Additional Infomation |
Nelonicline is a research compound developed for studying the role of α7 nAChRs in cognitive function and neuropsychiatric disorders. The compound is a potent, orally active, and selective α7 nAChR agonist with a Ki of 12.3 nM for human brain α7 nAChRs and substantially lower affinity for α4β2 nAChRs (Ki = 1740 nM). Nelonicline is also known as ABT-126. The compound is used for the research of schizophrenia and Alzheimer's disease. Nelonicline is not currently in clinical trials nor approved for therapeutic use; it remains an investigational tool compound for preclinical neuroscience research. Nelonicline is available from various chemical suppliers for research purposes.
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| Molecular Formula |
C17H19N3OS
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| Molecular Weight |
313.41726231575
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| Exact Mass |
313.124
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| CAS # |
1026134-63-3
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| PubChem CID |
24795933
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
460.2±55.0 °C at 760 mmHg
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| Flash Point |
232.1±31.5 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.668
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| LogP |
4.06
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
22
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| Complexity |
401
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C1[C@@H]2CN3C[C@@H](C2OC4=NN=C(S4)C5=CC=CC=C5)CC1C3
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| InChi Key |
QZDCYUCETTWCMO-OFTMQHFLSA-N
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| InChi Code |
InChI=1S/C17H19N3OS/c1-2-4-12(5-3-1)16-18-19-17(22-16)21-15-13-6-11-7-14(15)10-20(8-11)9-13/h1-5,11,13-15H,6-10H2/t11-,13-,14+,15+
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| Chemical Name |
2-(((3R,4r,5S,7s)-1-azaadamantan-4-yl)oxy)-5-phenyl-1,3,4-thiadiazole
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| Synonyms |
ABT-126; ABT126; ABT 126
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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) |
DMSO : ~12.5 mg/mL (~39.88 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.99 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 12.5 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: ≥ 1.25 mg/mL (3.99 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 12.5 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: ≥ 1.25 mg/mL (3.99 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 | 3.1906 mL | 15.9530 mL | 31.9061 mL | |
| 5 mM | 0.6381 mL | 3.1906 mL | 6.3812 mL | |
| 10 mM | 0.3191 mL | 1.5953 mL | 3.1906 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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