| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
Benzoylmesaconine targets voltage-gated sodium channels (VGSCs), specifically binding to the site 2 of the α-subunit and delaying the inactivation of sodium channels. This leads to persistent sodium influx, increased neuronal excitability, and cardiotoxicity.
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|---|---|
| ln Vitro |
Benzoylmesaconine activates voltage-gated sodium channels, causing prolonged sodium influx and sustained depolarization. This results in enhanced neuronal excitability, which can lead to arrhythmias and neurotoxicity at high concentrations. At lower concentrations, it may have analgesic and anti-inflammatory effects.
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| ln Vivo |
In vivo, Benzoylmesaconine exhibits potent cardiotoxic and neurotoxic effects characteristic of Aconitum alkaloids. It can induce ventricular arrhythmias, hypotension, and respiratory depression. At sub-toxic doses, it may exhibit analgesic activity similar to other Aconitum alkaloids.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Benzoylmesaconine involve radioligand binding studies using [³H]-batrachotoxin or [³H]-saxitoxin to assess binding to voltage-gated sodium channels. Functional assays using patch-clamp electrophysiology measure the effect on sodium channel inactivation kinetics.
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| Cell Assay |
In vitro cell-based assays for Benzoylmesaconine use neuronal cell lines or cardiomyocytes to study sodium channel modulation. Cells are treated with the compound and sodium currents are recorded using patch-clamp techniques. Cytotoxicity and cardiotoxicity are assessed by MTT and calcium flux assays.
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| Animal Protocol |
In vivo animal studies for Benzoylmesaconine employ rodent models to study its toxicological and pharmacological effects. Animals are administered the compound intravenously or intraperitoneally, and electrocardiograms, blood pressure, heart rate, and neurological signs are monitored to assess toxicity and potential therapeutic effects.
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| ADME/Pharmacokinetics |
Benzoylmesaconine has a molecular weight of approximately 585.69 g/mol and formula C₃₁H₄₃NO₉. As a diterpenoid alkaloid, it is lipophilic and readily absorbed. It is metabolized in the liver and excreted renally. Its narrow therapeutic index is a significant concern.
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| Toxicity/Toxicokinetics |
Benzoylmesaconine is highly toxic due to its potent effects on sodium channels. Overdose can cause severe cardiotoxicity (arrhythmias, hypotension) and neurotoxicity (convulsions, respiratory paralysis). The therapeutic index is very narrow, and careful dosing is essential.
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| References |
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| Additional Infomation |
Benzoyl aconitine is a diterpenoid alkaloid with the molecular formula C31H43NO10, isolated from various plants of the genus Aconitum. It is a plant metabolite with analgesic and anti-infective effects. It is a bridging compound, diterpenoid alkaloid, organic heterocyclic compound, polyether, secondary alcohol, benzoic acid ester, tertiary alcohol, tertiary amine compound, and tetraol. It is derived from the hydride of aconitane.
Benzoylmesaconine is a diterpenoid alkaloid found in Aconitum species (aconite, monkshood) and is one of the active components responsible for the toxicity and pharmacological effects of these plants. It is studied for its sodium channel modulating properties and potential analgesic applications, but its high toxicity limits therapeutic use. Not approved as a drug. |
| Molecular Formula |
C31H43NO10
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|---|---|
| Molecular Weight |
589.6738
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| Exact Mass |
589.288
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| CAS # |
63238-67-5
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| PubChem CID |
24832659
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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 |
703.2±60.0 °C at 760 mmHg
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| Flash Point |
379.1±32.9 °C
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| Vapour Pressure |
0.0±2.3 mmHg at 25°C
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| Index of Refraction |
1.637
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| LogP |
0.37
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
42
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| Complexity |
1090
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| Defined Atom Stereocenter Count |
14
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| SMILES |
CN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC
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| InChi Key |
PULWZCUZNRVAHT-IJNXHYLPSA-N
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| InChi Code |
InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1
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| Chemical Name |
[(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
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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 (~169.59 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.24 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 (4.24 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 (4.24 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 | 1.6959 mL | 8.4793 mL | 16.9586 mL | |
| 5 mM | 0.3392 mL | 1.6959 mL | 3.3917 mL | |
| 10 mM | 0.1696 mL | 0.8479 mL | 1.6959 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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