| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 2mg |
|
||
| 5mg |
|
||
| 10mg | |||
| 25mg | |||
| Other Sizes |
| Targets |
Mesaconine targets the NF-κB signaling pathway, acting as an inhibitor. It exhibits anti-NF-κB activity, which contributes to its anti-inflammatory and immune suppressive effects. The compound also has cardiac effects, suggesting potential interactions with cardiac ion channels or signaling pathways. As an alkaloid from Aconitum species, mesaconine may interact with voltage-gated sodium channels, similar to other Aconitum alkaloids, though its specific binding profile differs from the more toxic aconitine-type alkaloids. Its role in Mahuang Fuzi Xixin decoction suggests that it contributes to the anti-inflammatory and immune suppressive activities of this traditional Chinese medicine formula.
|
|---|---|
| ln Vitro |
In vitro studies have demonstrated that mesaconine exhibits NF-κB inhibitory activity. It has cardiac effects, as observed in various cell-based models. The compound's anti-inflammatory and immune suppressive activities have been documented, supporting its role in the material basis of Mahuang Fuzi Xixin decoction. However, detailed in vitro potency data, such as IC₅₀ values for NF-κB inhibition or other specific activities, are not extensively documented in the available literature. The compound's activity profile suggests potential therapeutic applications in inflammatory and immune-mediated diseases.
|
| ln Vivo |
In vivo, mesaconine contributes to the anti-inflammatory and immune suppressive effects of Mahuang Fuzi Xixin decoction. Its cardiac effects suggest potential applications in cardiovascular conditions. However, specific in vivo efficacy data for mesaconine as a single agent are limited. The compound's natural occurrence in Aconitum carmichaeli, which has a long history of use in traditional Chinese medicine, supports its potential as a therapeutic agent. Comprehensive in vivo studies are needed to fully evaluate its therapeutic potential and safety profile.
|
| Enzyme Assay |
In vitro non-cell enzyme/receptor binding assays for mesaconine typically involve measuring NF-κB inhibition using cell-free systems. The compound is incubated with NF-κB p50 or p65 subunits and a DNA probe containing the NF-κB consensus sequence, and the inhibition of DNA binding is measured by electrophoretic mobility shift assay (EMSA) or ELISA-based assays. The compound's binding affinity to its targets can be assessed using surface plasmon resonance or isothermal titration calorimetry. These assays provide quantitative data on the compound's direct interactions with its molecular targets.
|
| Cell Assay |
In vitro cell-based assays for mesaconine use various cell lines to study its anti-inflammatory and immune suppressive effects. Cells are treated with varying concentrations of mesaconine, and parameters such as NF-κB activation (by luciferase reporter assay or Western blotting for phospho-IκBα), inflammatory cytokine production (TNF-α, IL-6, IL-1β by ELISA), and cell viability (MTT or CCK-8 assays) are assessed. The compound's cardiac effects are studied in cardiomyocyte cell lines, where parameters such as contractility, ion channel currents, and cell viability are assessed.
|
| Animal Protocol |
In vivo animal studies for mesaconine would likely employ models of inflammation and immune-mediated diseases. For anti-inflammatory studies, standard models such as carrageenan-induced paw edema or LPS-induced inflammation can be used. The compound is administered orally or intraperitoneally, and parameters such as inflammatory cytokine levels, immune cell infiltration, and histopathology of inflamed tissues are assessed. For cardiac studies, animal models of heart disease or arrhythmia can be used, and parameters such as electrocardiogram, blood pressure, and cardiac function are assessed. Pharmacokinetic studies in these models provide information about the compound's absorption, distribution, metabolism, and excretion.
|
| ADME/Pharmacokinetics |
Mesaconine has a molecular weight of 485.57 g/mol and a molecular formula of C₂₄H₃₉NO₉. It is a diterpenoid alkaloid with a white to off-white solid appearance and a density of 1.5±0.1 g/cm³. The compound has a complex IUPAC name reflecting its polycyclic structure with multiple hydroxyl and methoxy groups. It should be stored as a powder at -20°C for up to three years. Detailed pharmacokinetic parameters such as absorption, distribution, metabolism, and excretion have not been extensively characterized. As a diterpenoid alkaloid, mesaconine is expected to have moderate to high lipophilicity and may have limited oral bioavailability.
|
| Toxicity/Toxicokinetics |
The toxicity profile of mesaconine has not been comprehensively evaluated in published studies. As a diterpenoid alkaloid from Aconitum species, it may have significant toxicity at high doses, similar to other Aconitum alkaloids. However, mesaconine is generally considered to be less toxic than the more highly esterified aconitine-type alkaloids. The compound's anti-NF-κB activity suggests that it may have significant biological effects that require careful evaluation. The compound is classified as a research reagent and is not intended for human therapeutic use without further safety evaluation. Standard laboratory safety precautions should be followed when handling the compound.
|
| References | |
| Additional Infomation |
Mesaconine is a diterpenoid alkaloid and the first reported compound with NF-κB inhibitory activity among the SFI class. It is an ingredient from Aconitum carmichaeli Debx.. The compound has cardiac effects and anti-NF-κB activity. It may be part of the material basis of Mahuang Fuzi Xixin decoction for anti-inflammation and immune suppression. Mesaconine is also known as 新乌头原碱 in Chinese. The compound has a white to off-white solid appearance and a density of 1.5±0.1 g/cm³. Not approved for clinical use; intended for research purposes only.
|
| Molecular Formula |
C24H39NO9
|
|---|---|
| Molecular Weight |
485.5678
|
| Exact Mass |
485.262
|
| CAS # |
6792-09-2
|
| PubChem CID |
76189547
|
| Appearance |
White to off-white solid powder
|
| Density |
1.5±0.1 g/cm3
|
| Boiling Point |
617.1±55.0 °C at 760 mmHg
|
| Flash Point |
327.0±31.5 °C
|
| Vapour Pressure |
0.0±4.0 mmHg at 25°C
|
| Index of Refraction |
1.630
|
| LogP |
-2.16
|
| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
10
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
34
|
| Complexity |
862
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6O)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC
|
| InChi Key |
GQRPJUIKGLHLLN-ZQPZIZOTSA-N
|
| InChi Code |
InChI=1S/C24H39NO9/c1-25-8-21(9-31-2)11(26)6-12(32-3)23-10-7-22(29)18(27)13(10)24(30,19(28)20(22)34-5)14(17(23)25)15(33-4)16(21)23/h10-20,26-30H,6-9H2,1-5H3/t10-,11-,12+,13-,14+,15+,16-,17-,18-,19+,20+,21+,22-,23+,24-/m1/s1
|
| Chemical Name |
(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol
|
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (~205.94 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.15 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 (5.15 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 (5.15 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 | 2.0594 mL | 10.2972 mL | 20.5944 mL | |
| 5 mM | 0.4119 mL | 2.0594 mL | 4.1189 mL | |
| 10 mM | 0.2059 mL | 1.0297 mL | 2.0594 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
