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Paeonol

Alias: NSC-401442; NSC401442; Peonol;NSC 401442;
Cat No.:V0905 Purity: ≥98%
Paeonol (also known as NSC-401442; NSC401442;Peonol), a naturally occurring phenolic compound isolated from Paeonia suffruticosa (moutan cortex) and Cynanchum paniculatum which are used in traditional Chinese herbs/medicines.
Paeonol
Paeonol Chemical Structure CAS No.: 552-41-0
Product category: Carbonic Anhydrase
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
500mg
1g
2g
5g
Other Sizes

Other Forms of Paeonol:

  • Paeonol-d3
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description

Paeonol (also known as NSC-401442; NSC401442; Peonol), a naturally occurring phenolic compound isolated from Paeonia suffruticosa (moutan cortex) and Cynanchum paniculatum which are used in traditional Chinese herbs/medicines. Paeonol has a range of pharmacologic functions such as antiaggregatory,anti-inflammatory and anti-ischemia reperfusion damage and anti-lipid peroxidation effects. It acts as a MAO inhibitor with an IC50 of about 50 μM.

Biological Activity I Assay Protocols (From Reference)
ln Vitro
It is discovered that pedonol inhibits MAO A in a dose-dependent manner, with an IC50 value of 54.6 μM. With an IC50 of 42.5 μM, eonol is demonstrated to inhibit MAO-B in a dose-dependent way. The calculated Ki for Paeonol is 51.1 μM. With a Ki value of 38.2 μM, Paeonol's inhibition of MAO B is of the competitive type[1].
ln Vivo
When compared to the I/R group [AN/V (%): 18.2±2.9], the 200 mg/kg Paeonol+I/R group [AN/V (%): 7.6±2.2, p<0.01] and the 100 mg/kg Paeonol+I/R group [AN/V (%): 9.4±2.8, p<0.05] both exhibit reduced amounts of no-reflow area in the ventricles. Specifically, compared to the I/R group [AN/WH (%): 10.0±1.9][2], the 200 mg/kg Paeonol + I/R group showed significantly lessened no-reflow in the whole heart [AN/WH (%): 4.6±1, p<0.05].
Animal Protocol
100, 200 mg/kg; oral
Male Wistar rats
ADME/Pharmacokinetics
Metabolism / Metabolites
Paeonol has known human metabolites that include (2-Acetyl-5-methoxyphenyl) hydrogen sulfate.
References

[1]. Inhibition of MAO A and B by some plant-derived alkaloids, phenols and anthraquinones. J Ethnopharmacol. 2004 Apr;91(2-3):351-5.

[2]. Paeonol Protects Rat Heart by Improving Regional Blood Perfusion during No-Reflow. Front Physiol. 2016 Jul 21;7:298.

Additional Infomation
Paeonol is a member of phenols and a member of methoxybenzenes. It has a role as a metabolite.
Paeonol has been reported in Clausena dunniana, Ficus benghalensis, and other organisms with data available.
See also: Paeonia lactiflora root (part of); Paeonia X suffruticosa root (part of).
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C9H10O3
Molecular Weight
166.17
Exact Mass
166.062
CAS #
552-41-0
Related CAS #
Paeonol-d3;55712-78-2
PubChem CID
11092
Appearance
White to off-white solid powder
Density
1.2±0.1 g/cm3
Boiling Point
301.9±22.0 °C at 760 mmHg
Melting Point
48-50 °C(lit.)
Flash Point
122.3±15.8 °C
Vapour Pressure
0.0±0.7 mmHg at 25°C
Index of Refraction
1.538
LogP
2.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Heavy Atom Count
12
Complexity
167
Defined Atom Stereocenter Count
0
InChi Key
UILPJVPSNHJFIK-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3
Chemical Name
1-(2-Hydroxy-4-methoxyphenyl)ethanone
Synonyms
NSC-401442; NSC401442; Peonol;NSC 401442;
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

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO: 33 mg/mL (198.6 mM)
Water:<1 mg/mL
Ethanol:33 mg/mL (198.6 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.04 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), suspension 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 (15.04 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.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (15.04 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.


Solubility in Formulation 4: ≥ 2.5 mg/mL (15.04 mM) (saturation unknown) in 10% EtOH + 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 EtOH stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix well.
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.

Solubility in Formulation 5: 10% EtOH + 90% Corn Oil

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 6.0179 mL 30.0897 mL 60.1793 mL
5 mM 1.2036 mL 6.0179 mL 12.0359 mL
10 mM 0.6018 mL 3.0090 mL 6.0179 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.

Calculator

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What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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.

Clinical Trial Information
NCT Number Recruitment interventions Conditions Sponsor/Collaborators Start Date Phases
NCT04657926 Completed Drug: APPA
Drug: Placebo
Osteoarthritis AKL Research and Development September 9, 2020 Phase 2
Biological Data
  • Effects of paeonol on myocardial infarct area in ischemia/reperfusion (I/R) rats. (A) Representative images of the infarct area for all four groups [Sham, I/R, paeonol (100 mg/kg) + I/R, paeonol (200 mg/kg) + I/R], with the arrows showing nitro-blue tetrazolium chloride (NBT)-negative infarct areas. (B) The percentage of the infarct area to the ventricle size (AI/V) and to the whole heart section (AI/WH) in the three groups. I/R group (n = 9), paeonol (100 mg/kg) + I/R group (n = 8), paeonol (200 mg/kg) + I/R group (n = 8). The data are expressed as mean ± SE. #p < 0.01, compared with I/R group of the ventricle size. †p < 0.05, compared with I/R group of the whole heart.
  • Effects of paeonol on no-reflow area in myocardial ischemia/reperfusion (I/R) rats. (A) Representative images of the no-reflow area for all four groups [Sham, I/R, paeonol (100 mg/kg) + I/R, paeonol (200 mg/kg) + I/R], with the arrows showing no-reflow areas. (B) The percentage of the no-reflow area to the ventricle size (AN/V) and to the whole heart section (AN/WH) in the three groups. I/R group (n = 9), paeonol (100 mg/kg) + I/R group (n = 8), paeonol (200 mg/kg) + I/R group (n = 8). The data are expressed as mean ±SE. *p < 0.05, compared with I/R group of the ventricle size. †p < 0.05, compared with I/R group of the whole heart.
  • Effect of paeonol on regional myocardial blood flow. Representative images of regional myocardial blood flow of the four groups. Sham group (n = 9), I/R group (n = 9), paeonol (100 mg/kg) + I/R group (n = 8), paeonol (200 mg/kg) + I/R group (n = 8). The arrows indicate the time point for the contrast agent injection.
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