| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
β-Nicotyrine binds to two cytochrome P450 isoforms, CYP2A6 and CYP2A13, with Ki values of 7.5 and 5.6 µM, respectively. These isoforms are prominently involved in the metabolism of xenobiotics in the airways. It is a metabolite of nicotine.
|
|---|---|
| ln Vitro |
In vitro, β-nicotyrine binds comparably to CYP2A6 and CYP2A13 with Ki values of 7.5 and 5.6 µM, respectively. It is used as a reference standard for the analysis of tobacco alkaloids and nicotine metabolites. Its interactions with cytochrome P450 enzymes are studied to understand nicotine metabolism.
|
| ln Vivo |
In vivo, β-nicotyrine is a metabolite of nicotine. It is a trace tobacco alkaloid found in tobacco plants and cigarette smoke. It is formed during the metabolism of nicotine and may influence the pharmacokinetics of nicotine through inhibition of CYP2A6 and CYP2A13.
|
| Enzyme Assay |
In vitro assays for β-nicotyrine typically involve studying its binding to cytochrome P450 enzymes. Enzyme activity assays are performed using CYP2A6 or CYP2A13 with fluorogenic substrates. Inhibition constants (Ki) are determined from dose-response curves. The compound is also used as a reference standard for tobacco alkaloid analysis.
|
| Cell Assay |
For in vitro cell assays, cells expressing CYP2A6 or CYP2A13 are cultured and treated with β-nicotyrine at various concentrations. Enzyme activity is measured using fluorogenic substrates. Cell viability is assessed by MTT assay. The compound's effects on nicotine metabolism are studied in cell-based models.
|
| Animal Protocol |
For in vivo animal studies, β-nicotyrine is studied as a metabolite of nicotine. Animals are administered nicotine, and blood and tissue samples are collected. The compound is quantified by LC-MS. Its formation and effects on nicotine metabolism are assessed.
|
| ADME/Pharmacokinetics |
β-Nicotyrine (MW 158.20) has the molecular formula C₁₀H₁₀N₂. It is a trace tobacco alkaloid that is isolated from tobacco plants and cigarette smoke. The compound is stable under recommended storage conditions. It is soluble in organic solvents and is used as a reference standard for analytical methods.
|
| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available. As a tobacco alkaloid and metabolite of nicotine, its toxicity profile is expected to be related to nicotine. Standard laboratory safety precautions should be followed when handling this compound.
|
| References |
[1]. Xiaochen Wei, et al. An Improved Synthesis of β-Nicotyrine from the Dehydrogenation of Nicotine: Comparison of Conventional and Microwave-Assisted Reactions. Synthetic Communications. 2003. Volume 33, Issue 19.
|
| Additional Infomation |
Nicotyrine is a pyridine compound. It has been reported that tobacco (Nicotiana tabacum) contains Nicotyrine, and relevant data are available for reference. See also: tobacco leaves (partial); tobacco smoke (partial).
β-Nicotyrine (CAS# 487-19-4) is a metabolite of nicotine and a trace tobacco alkaloid. It has not been approved as a therapeutic agent. The compound is used as a reference standard in research on nicotine metabolism, tobacco alkaloid analysis, and cytochrome P450 enzyme inhibition. It is also known as β-Nicotyrine. |
| Molecular Formula |
C10H10N2
|
|---|---|
| Molecular Weight |
158.20
|
| Exact Mass |
158.084
|
| CAS # |
487-19-4
|
| Related CAS # |
β-Nicotyrine-d3; β-Nicotyrine; 487-19-4
|
| PubChem CID |
10249
|
| Appearance |
Light yellow to yellow oil
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
282.8±15.0 °C at 760 mmHg
|
| Flash Point |
124.8±20.4 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.581
|
| LogP |
1.8
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
12
|
| Complexity |
147
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CN1C=CC=C1C2=CN=CC=C2
|
| InChi Key |
RYFOJXFXERAMLS-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3
|
| Chemical Name |
3-(1-methylpyrrol-2-yl)pyridine
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~632.1 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.80 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (15.80 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.3211 mL | 31.6056 mL | 63.2111 mL | |
| 5 mM | 1.2642 mL | 6.3211 mL | 12.6422 mL | |
| 10 mM | 0.6321 mL | 3.1606 mL | 6.3211 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
