1. Metabolic Enzyme/Protease NF-κB Immunology/Inflammation MAPK/ERK Pathway Membrane Transporter/Ion Channel
  2. Angiotensin-converting Enzyme (ACE) Reactive Oxygen Species Toll-like Receptor (TLR) NF-κB COX NO Synthase p38 MAPK P-glycoprotein
  3. Benzoylaconine

Benzoylaconine  (Synonyms: Benzoylaconitine; Isaconitine; Pikraconitin)

Cat. No.: HY-N0217 Purity: 99.92%
Handling Instructions Technical Support

Benzoylaconine (Benzoylaconitine) is an orally active monoester alkaloid found in the traditional Chinese medicine Aconitum carmichaelii. Benzoylaconine is an ACE2 agonist (EC50: 1.5 μM) with antihypertensive and anti-heart failure effects. Benzoylaconine inhibits TLR-induced MAPK and NF-κB pathways to exert anti-inflammatory effects. Benzoylaconine upregulates the protein levels of P-gp, MRP2, and has anti-tumor effects.

For research use only. We do not sell to patients.

Benzoylaconine Chemical Structure

Benzoylaconine Chemical Structure

CAS No. : 466-24-0

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Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO
ready for reconstitution
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Based on 1 publication(s) in Google Scholar

Top Publications Citing Use of Products

1 Publications Citing Use of MCE Benzoylaconine

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  • Biological Activity

  • Purity & Documentation

  • References

  • Customer Review

Description

Benzoylaconine (Benzoylaconitine) is an orally active monoester alkaloid found in the traditional Chinese medicine Aconitum carmichaelii. Benzoylaconine is an ACE2 agonist (EC50: 1.5 μM) with antihypertensive and anti-heart failure effects. Benzoylaconine inhibits TLR-induced MAPK and NF-κB pathways to exert anti-inflammatory effects. Benzoylaconine upregulates the protein levels of P-gp, MRP2, and has anti-tumor effects[1][2][3][4][5][6].

IC50 & Target

ACE

0.32 μM (EC50)

In Vitro

Benzoylaconine (25-100 μM, pretreatment for 1 h, then 36 h) has the effect of reducing angiotensin II-induced cardiomyocyte hypertrophy and fibrosis in cardiomyocytes and cardiac fibroblasts[1].
Benzoylaconine (50 μM, pretreatment for 1 h, then 0.5, 36 h) cannot alleviate myocardial inflammation and injury by targeting ACE2 in ACE2 knockdown cardiomyocytes[1].
Benzoylaconine (1-100 μM, 1 h) exerts anti-inflammatory effects in RAW264.7 macrophages by inhibiting TLR-induced MAPK and NF-κB pathways[2].
Benzoylaconine (1-100 μM, pretreatment for 1 h, then 24 h) significantly reduces the levels of IL-1β, TNF-α, and IL-6 cytokine proinflammatory cytokines in LPS-induced RAW264.7 macrophages[2].
Benzoylaconine (1-100 μM, pretreatment for 1 h, then 24 h) dose-dependently reduces the expression of COX-2 and iNOS in LPS-induced RAW264.7 macrophages[2].
Benzoylaconine (27-75 μM, 2 days) dose-dependently promotes mitochondrial mass and thus mitochondrial biogenesis in HepG2 cells[3].
Benzoylaconine has an agonistic effect on ACE2 activity (EC50: 1.5 μM) and a significant inhibitory effect on ACE (EC50: 0.32 μM)[5].
Benzoylaconine (25-100 μM, 6 days) upregulates the protein levels of P-glycoprotein (P-gp), multidrug resistance-associated protein 2 (MRP2), and breast cancer resistance protein (BCRP) in Caco-2 and LS174T cells[6].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Western Blot Analysis[1]

Cell Line: cardiomyocytes and cardiac fibroblasts
Concentration: 50 μM
Incubation Time: Pretreatment for 1 h and then exposure to Ang Ⅱ (HY-13948) (1 μM) for 36 h
Result: Inhibited p38/ERK phosphorylation, reduced Drp1 mitochondrial translocation, and decreased ROS and NF-κB nuclear translocation.
Significantly inhibited the expression of β-MyHC and TGF-β proteins in rat primary cardiomyocytes and COL1A1, TGF-β primary cardiac fibroblasts induced by Ang Ⅱ in a dose-dependent manner.

Western Blot Analysis[2]

Cell Line: RAW264.7 cells
Concentration: 1-100 μM
Incubation Time: Pretreatment for 1 h and then exposure to LPS (1 μg/mL) for 24 h
Result: Inhibited PGE2 and NO release by downregulating COX-2 and iNOS levels.
Decreased p-p38/p38, p-JNK/JNK and p-ERK/ERK by affecting the MAPK pathway.
Significantly dose-dependently attenuated IκBα phosphorylation and degradation in activated macrophages.
Parmacokinetics[7]
Species Dose Route Indicator value
Rat 1 mg/kg p.o. Tmax 0.31 hr
Rat 1 mg/kg p.o. Cmax 3.99 ng/mL
Rat 1 mg/kg p.o. T1/2 9.49 hr
In Vivo

Benzoylaconine (3-30 mg/kg, p.o., 4 weeks) effectively improves cardiac dysfunction, reduces cardiomyocyte hypertrophy and cardiac tissue fibrosis in the thoracic aortic constriction (TAC) mouse model by targeting ACE2[1].
Benzoylaconine (10 mg/kg, i.p., once a day for seven consecutive days) increases the oxygen consumption of mice, induces mitochondrial biogenesis and activated the AMPK-PGC1ɑ pathway in mice, exerting an anti-heart failure effect[3].
Benzoylaconine (20 mg/kg, i.v. or i.g., once a day for five consecutive days) significantly inhibits the swelling of the mouse ear and sole in the mouse ear swelling test (MEST) and the mouse foot swelling test, indicating that it has an anti-inflammatory effect[4].
Benzoylaconine (3-30 mg/kg, p.o., once a day for 14 consecutive days) can reduce heart rate and vasodilation in the SHR mouse model, and exert antihypertensive effects by reversing smooth muscle remodeling[5].
Benzoylaconine (0.6 mg/kg, p.o., once a day for 14 consecutive days) significantly induces the expression and efflux activity of MRP2, BCRP, and P-gp in the jejunum, ileum, and colon of FVB mice in the FVB mouse model[6].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model: C57BL/6 mice (male aged 8 weeks) TAC-induced model[1]
Dosage: 3, 10, 30 mg/kg
Administration: p.o., 4 weeks
Result: Dose-dependently improved ejection fraction (EF%), fractional shortening (FS%), and decreased end-systolic volume (ESV) in TAC mice.
Reduced myocardial cell cross-sectional area, decreased cardiac collagen deposition, decreased circulating levels of BNP, LDH, and Ang Ⅱ, and increased levels of Ang (1-7).
Completely eliminated the improvement effects on cardiac function, hypertrophy and fibrosis in ACE knockout mice, indicating that it acted through ACE2.
Animal Model: Kunming mice (female 20 g)[4]
Dosage: 20 mg/kg
Administration: i.v. (MEST) or i.g. (MPST), once a day for five consecutive days
Result: Showed that the swelling inhibition rate in the MEST model reached 50%. In the MPST model, the inhibition rate increased significantly with time, reaching the highest inhibition rate (78.4%) at 6 hours.
Animal Model: Spontaneous hypertensive rats (male 280 g)[5]
Dosage: 3, 10, 30 mg/kg
Administration: p.o. once a day for fourteen consecutive days
Result: Indicated that it can not only inhibit the activity and protein expression of ACE, but also activate ACE2 activity in a dose-dependent manner.
Increased NO levels in SHR in a dose-dependent manner, reduced serum TNF-α and IL-6 levels, and downregulated COX-2 expression and IKB - α phosphorylation.
Showed targeting ACE/ACE2 to regulate vasodilation and vascular inflammation.
Decreased ACE and Ang Ⅱ levels and significantly increased Ang (1–7) levels, but did not change Ang Ⅰ and ACE2 levels.
Animal Model: Friend leukemia virus mice (male 20-22 g)[6]
Dosage: 0.6 mg/kg
Administration: p.o. once a day for fourteen consecutive days
Result: Significantly increased the levels of MRP2 and BCRP protein and mRNA in the jejunum, ileum and colon of mice.
Upregulated protein levels in mice and promotes nuclear translocation of Nrf2 in cells.
Molecular Weight

603.70

Formula

C32H45NO10

CAS No.
Appearance

Solid

Color

White to light yellow

SMILES

CO[C@@H]1C(C(N(CC)C2)C3[C@@H]4OC)([C@@](C[C@@]5(O)[C@@H]6OC(C7=CC=CC=C7)=O)([H])[C@@]6([H])[C@@]3([C@@H](O)[C@@H]5OC)O)[C@@]4([H])[C@@]2(COC)[C@H](O)C1

Structure Classification
Initial Source
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, sealed storage, away from moisture and light

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)

Solvent & Solubility
In Vitro: 

DMSO : 55 mg/mL (91.10 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 1.6565 mL 8.2823 mL 16.5645 mL
5 mM 0.3313 mL 1.6565 mL 3.3129 mL
View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

  • Molarity Calculator

  • Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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Concentration
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Volume
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Molecular Weight *

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

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Volume (start)

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C2

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Volume (final)

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In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

  • Protocol 1

    Add each solvent one by one:  10% DMSO    40% PEG300    5% Tween-80    45% Saline

    Solubility: ≥ 0.92 mg/mL (1.52 mM); Clear solution

    This protocol yields a clear solution of ≥ 0.92 mg/mL (saturation unknown).

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (9.2 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

    Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
  • Protocol 2

    Add each solvent one by one:  10% DMSO    90% (20% SBE-β-CD in Saline)

    Solubility: ≥ 0.92 mg/mL (1.52 mM); Clear solution

    This protocol yields a clear solution of ≥ 0.92 mg/mL (saturation unknown).

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (9.2 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

    Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

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Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
%
DMSO +
+
%
Tween-80 +
%
Saline
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Calculation results:
Working solution concentration: mg/mL
Method for preparing stock solution: mg drug dissolved in μL  DMSO (Stock solution concentration: mg/mL).

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).
Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.
 If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation

Purity: 99.92%

References

Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 1.6565 mL 8.2823 mL 16.5645 mL 41.4113 mL
5 mM 0.3313 mL 1.6565 mL 3.3129 mL 8.2823 mL
10 mM 0.1656 mL 0.8282 mL 1.6565 mL 4.1411 mL
15 mM 0.1104 mL 0.5522 mL 1.1043 mL 2.7608 mL
20 mM 0.0828 mL 0.4141 mL 0.8282 mL 2.0706 mL
25 mM 0.0663 mL 0.3313 mL 0.6626 mL 1.6565 mL
30 mM 0.0552 mL 0.2761 mL 0.5522 mL 1.3804 mL
40 mM 0.0414 mL 0.2071 mL 0.4141 mL 1.0353 mL
50 mM 0.0331 mL 0.1656 mL 0.3313 mL 0.8282 mL
60 mM 0.0276 mL 0.1380 mL 0.2761 mL 0.6902 mL
80 mM 0.0207 mL 0.1035 mL 0.2071 mL 0.5176 mL
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  • Do most proteins show cross-species activity?

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Benzoylaconine
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