| 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 | |||
| 250mg | |||
| Other Sizes |
| Targets |
Benzoylhypaconine targets voltage-gated sodium channels, similar to other Aconitum alkaloids, but with reduced potency compared to the highly toxic aconitine-type alkaloids. It binds to the sodium channel and modulates channel kinetics, affecting neuronal excitability and cardiac function.
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|---|---|
| ln Vitro |
Alkaloids from aconitum have a limited therapeutic range. Hyperpolarization and voltage-dependent sodium and calcium channel activation are the sources of their potential toxicity, which can result in neurotoxicity and cardiotoxicity that are deadly [1].
Benzoylhypaconine exhibits sodium channel-modulating activity with lower potency than aconitine or mesaconitine. It may have analgesic and anti-inflammatory effects at sub-toxic concentrations. Its activity is mediated through delayed inactivation of voltage-gated sodium channels. |
| ln Vivo |
In vivo, Benzoylhypaconine exhibits lower toxicity compared to aconitine and other diester alkaloids while retaining some pharmacological activity. It has been studied for its analgesic potential in animal models of pain.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Benzoylhypaconine involve binding studies to voltage-gated sodium channels using radioligands. Functional assays using patch-clamp electrophysiology measure the effect on sodium channel inactivation and activation kinetics.
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| Cell Assay |
In vitro cell-based assays for Benzoylhypaconine use neuronal or cardiac cell lines to study sodium channel modulation. Cells are treated with the compound, and sodium currents are recorded using patch-clamp techniques. Cytotoxicity is assessed by standard viability assays.
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| Animal Protocol |
In vivo animal studies for Benzoylhypaconine employ rodent models to evaluate its analgesic and toxicological effects. The compound is administered orally or intraperitoneally, and pain response (e.g., hot plate test, tail flick test) is measured. Electrocardiograms and neurological signs are monitored to assess toxicity.
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| ADME/Pharmacokinetics |
Benzoylhypaconine has a molecular weight of approximately 585.69 g/mol. It is a monoester diterpenoid alkaloid with moderate lipophilicity. Compared to diester alkaloids, it has reduced toxicity and may have a slightly better therapeutic index. Detailed PK data are limited.
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| Toxicity/Toxicokinetics |
Benzoylhypaconine is less toxic than aconitine and hypaconitine due to the absence of one ester group. However, it still retains sodium channel activity and can cause cardiotoxicity and neurotoxicity at high doses. The therapeutic index is broader than the parent alkaloids but still relatively narrow.
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| References |
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| Additional Infomation |
See also: Benzoyltrichlorobenzene (note moved to).
Benzoylhypaconine is a monoester diterpenoid alkaloid found in Aconitum species (aconite). It is a hydrolysis product of hypaconitine and is studied for its analgesic and anti-inflammatory potential with reduced toxicity compared to the parent diester alkaloids. Not approved for clinical use. |
| Molecular Formula |
C₃₁H₄₃NO₉
|
|---|---|
| Molecular Weight |
573.67
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| Exact Mass |
573.293
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| Elemental Analysis |
C, 64.90; H, 7.56; N, 2.44; O, 25.10
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| CAS # |
63238-66-4
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| PubChem CID |
78358526
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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 |
663.6±55.0 °C at 760 mmHg
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| Flash Point |
355.1±31.5 °C
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| Vapour Pressure |
0.0±2.1 mmHg at 25°C
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| Index of Refraction |
1.625
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| LogP |
1.43
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
10
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
41
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| Complexity |
1050
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| Defined Atom Stereocenter Count |
11
|
| SMILES |
O([H])[C@]12[C@]([H])([C@@]([H])([C@@]3([C@@]([H])([C@@]1([H])[C@@]([H])(C3([H])[H])[C@@]13[C@]([H])(C([H])([H])C([H])([H])[C@@]4(C([H])([H])OC([H])([H])[H])C([H])([H])N(C([H])([H])[H])[C@]1([H])C2([H])C([H])([C@@]34[H])OC([H])([H])[H])OC([H])([H])[H])OC(C1C([H])=C([H])C([H])=C([H])C=1[H])=O)O[H])OC([H])([H])[H])O[H]
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| InChi Key |
MDFCJNFOINXVSU-JSRYRGFVSA-N
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| InChi Code |
InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18?,19-,20?,21?,22-,23?,24+,25-,26+,28+,29-,30?,31-/m1/s1
|
| Chemical Name |
[(2R,3R,4R,5R,6S,7S,8R,13S,17R)-5,7,8-trihydroxy-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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| Synonyms |
BHA; Benzoylhypacoitine; Benzoylhypaconine
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~174.32 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.36 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 (4.36 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 (4.36 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 | 1.7432 mL | 8.7158 mL | 17.4316 mL | |
| 5 mM | 0.3486 mL | 1.7432 mL | 3.4863 mL | |
| 10 mM | 0.1743 mL | 0.8716 mL | 1.7432 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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