| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
CYP26 ≥300 μM (Ki)
Cytochrome P-450 2A6 (CYP2A6). Nicotelline is a nicotine-related alkaloid that functions as a weak inhibitor of human cDNA-expressed CYP2A6. CYP2A6 is an enzyme involved in the metabolism of coumarin and nicotine. Nicotelline has no significant inhibitory effect on CYP2A6-mediated coumarin 7-hydroxylation at 300 μM. |
|---|---|
| ln Vitro |
Nicotelline is a weak inhibitor of human cDNA-expressed CYP2A6. It has no significant inhibitory effect on CYP2A6-mediated coumarin 7-hydroxylation at 300 μM. The compound's weak inhibitory activity distinguishes it from other nicotine-related alkaloids such as nicotine and β-nicotyrine, which are mechanism-based inhibitors of CYP2A6.
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| ln Vivo |
In vivo, Nicotelline is used as a tracer and biomarker for particulate matter (PM) in tobacco smoke. Its role as a weak CYP2A6 inhibitor may have implications for nicotine metabolism in smokers, though its weak activity suggests limited impact compared to other nicotine-related alkaloids. Specific in vivo data is limited in the available literature.
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| Enzyme Assay |
In vitro enzyme activity assays for Nicotelline involve measuring its ability to inhibit CYP2A6-mediated coumarin 7-hydroxylation. Recombinant human CYP2A6 enzyme is incubated with coumarin substrate in the presence of increasing concentrations of Nicotelline. The production of 7-hydroxycoumarin is measured fluorometrically, and the inhibition is assessed.
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| Cell Assay |
In vitro cellular assays for Nicotelline are limited as the compound is primarily used as a tracer and biomarker. Its effects on CYP2A6 activity can be assessed in cells expressing the enzyme, but specific cellular assay protocols are not detailed in the available literature.
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| Animal Protocol |
In vivo studies with Nicotelline are primarily focused on its use as a tracer and biomarker for particulate matter (PM) in tobacco smoke. The compound can be detected in biological samples from smokers, and its levels may correlate with smoke exposure. Specific animal study protocols are not detailed.
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| ADME/Pharmacokinetics |
Nicotelline has a molecular weight of 233.27 g/mol and a molecular formula of C15H11N3. Its IUPAC name is 2,4-dipyridin-3-ylpyridine. The compound appears as a brown to orange solid powder. It is soluble in DMSO (100 mg/mL). Powder stability is 3 years at -20°C and 2 years at 4°C.
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| Toxicity/Toxicokinetics |
No specific toxicity data is available for Nicotelline in the provided literature. As a nicotine-related alkaloid, its toxicity profile would be expected to differ from nicotine. The compound is for research use only and is not intended for human therapeutic use.
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| References | |
| Additional Infomation |
Reports have indicated that tobacco (Nicotiana tabacum) contains nicotine, and relevant data is available for reference.
Nicotelline (CAS#: 494-04-2) is a nicotine-related alkaloid and a weak inhibitor of human CYP2A6. It has a molecular formula of C15H11N3 and a molecular weight of 233.27 g/mol. Nicotelline can be used as a tracer and biomarker for particulate matter in tobacco smoke. The compound is a research tool and is not approved for clinical use. |
| Molecular Formula |
C15H11N3
|
|---|---|
| Molecular Weight |
233.27
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| Exact Mass |
235.111
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| CAS # |
494-04-2
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| Related CAS # |
Nicotelline-d9;2469258-18-0
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| PubChem CID |
68123
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| Appearance |
Brown to orange solid powder
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| Density |
1.168 g/cm3
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| Boiling Point |
416.8ºC at 760 mmHg
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| Melting Point |
147-149ºC
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| Flash Point |
190.9ºC
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| Vapour Pressure |
9.02E-07mmHg at 25°C
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| Index of Refraction |
1.615
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| LogP |
2.972
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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 |
2
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| Heavy Atom Count |
18
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| Complexity |
256
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CN=C1)C2=CC(=NC=C2)C3=CN=CC=C3
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| InChi Key |
OILSPHJMIPYURT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H11N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-11H
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| Chemical Name |
2,4-dipyridin-3-ylpyridine
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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) |
DMSO: 100 mg/mL (428.69 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.72 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 (10.72 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.2869 mL | 21.4344 mL | 42.8688 mL | |
| 5 mM | 0.8574 mL | 4.2869 mL | 8.5738 mL | |
| 10 mM | 0.4287 mL | 2.1434 mL | 4.2869 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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