| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg | |||
| 100mg | |||
| 250mg | |||
| Other Sizes |
| Targets |
α4β2 nicotinic acetylcholine receptor (nAChR). Dianicline is a selective partial agonist at this receptor with an IC₅₀ of 105 nM and >20-fold selectivity for α4β2 over other nAChR subtypes.
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|---|---|
| ln Vitro |
In vitro, dianicline acts as a partial agonist at the α4β2 nAChR with an IC₅₀ of 105 nM. It exhibits >20-fold selectivity for α4β2 over other nAChR subtypes. As a partial agonist, it produces sub-maximal receptor activation compared to full agonists like nicotine, which is the pharmacological basis for its use in smoking cessation.
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| ln Vivo |
Dianicline increases dopamine turnover in the rat nucleus accumbens in vivo, a key effect associated with reduced nicotine craving and withdrawal symptoms. The compound is orally bioavailable. In clinical trials, dianicline increased cessation rates in a dose-dependent manner. However, development of the compound for smoking cessation was discontinued.
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| Enzyme Assay |
In vitro receptor binding assays for dianicline typically use radioligand binding techniques with membrane preparations from cells expressing recombinant α4β2 nAChRs. Radiolabeled selective α4β2 ligands such as [³H]-cytisine or [³H]-epibatidine are used as tracers. Competition binding experiments with varying concentrations of dianicline are conducted to determine binding affinity and selectivity over other nAChR subtypes.
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| Cell Assay |
In vitro cell-based functional assays for dianicline evaluate its partial agonist activity at α4β2 nAChRs using calcium flux assays or electrophysiological patch-clamp recordings. Cells expressing recombinant α4β2 nAChRs are loaded with calcium-sensitive dyes, and the compound's ability to induce calcium influx is measured and compared to full agonists like nicotine to confirm partial agonist activity.
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| Animal Protocol |
In vivo animal studies for dianicline include measurements of dopamine turnover in the rat nucleus accumbens following compound administration. The compound is orally administered, and dopamine and its metabolites are measured in brain tissue. These studies demonstrate the compound's ability to modulate dopaminergic neurotransmission, which is relevant to its mechanism for smoking cessation.
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| ADME/Pharmacokinetics |
Dianicline is orally bioavailable. It has a molecular weight of 289.2 g/mol (free base). The compound crosses the blood-brain barrier to reach its target receptors in the central nervous system. Detailed pharmacokinetic parameters such as half-life, Cmax, and bioavailability are not extensively reported in the provided literature but its oral bioactivity has been confirmed in preclinical and clinical studies.
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| Toxicity/Toxicokinetics |
Specific toxicity data for dianicline is not extensively reported in the provided literature. As a compound that reached clinical trials for smoking cessation, it would have undergone standard preclinical and clinical safety evaluation. The compound is no longer commercially available and is classified as a research-grade chemical not intended for human use.
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| References | |
| Additional Infomation |
Dianicline has been used in trials studying smoking, smoking cessation, and tobacco use withdrawal.
Dianicline is a selective α4β2 nAChR partial agonist that was developed for smoking cessation. It has an IC₅₀ of 105 nM and >20-fold selectivity for α4β2 over other nAChR subtypes. The compound increases dopamine turnover in the rat nucleus accumbens and is orally bioavailable. It belongs to the same class as varenicline and cytisine. Clinical trials showed dose-dependent increases in cessation rates, but development was discontinued. It has not received FDA approval. |
| Molecular Formula |
C13H16N2O
|
|---|---|
| Molecular Weight |
216.278943061829
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| Exact Mass |
216.126
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| CAS # |
292634-27-6
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| PubChem CID |
10176764
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| Appearance |
White to off-white solid powder
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| LogP |
1.4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
16
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| Complexity |
296
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| Defined Atom Stereocenter Count |
2
|
| SMILES |
O1C2C=CC=NC=2C[C@@]23CCN(CC[C@H]12)C3
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| InChi Key |
SUPRUPHAEXPGPF-QWHCGFSZSA-N
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| InChi Code |
InChI=1S/C13H16N2O/c1-2-11-10(14-5-1)8-13-4-7-15(9-13)6-3-12(13)16-11/h1-2,5,12H,3-4,6-9H2/t12-,13+/m0/s1
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| Chemical Name |
(1R,10S)-9-oxa-4,13-diazatetracyclo[11.2.1.01,10.03,8]hexadeca-3(8),4,6-triene
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| Synonyms |
SSR 591,813; SSR-591,813; Dianicline
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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, 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 : ~25 mg/mL (~86.45 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.64 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 (8.64 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 (8.64 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 | 4.6236 mL | 23.1182 mL | 46.2364 mL | |
| 5 mM | 0.9247 mL | 4.6236 mL | 9.2473 mL | |
| 10 mM | 0.4624 mL | 2.3118 mL | 4.6236 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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