| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
Isoeugenol acetate inhibits metabolic enzymes including acetylcholinesterase (AChE) with an IC50 of 77 nM, α-glycosidase, and α-amylase. It also targets pathways involved in oxidative stress and inflammation.
|
|---|---|
| ln Vitro |
In vitro, Isoeugenol acetate demonstrates antioxidant activity by scavenging free radicals, antimicrobial activity against various pathogens, and anticancer activity by inhibiting cancer cell proliferation. It effectively inhibits AChE, α-glycosidase, and α-amylase enzymes.
|
| ln Vivo |
In vivo, Isoeugenol acetate has been studied for its anti-inflammatory effects. Its antioxidant properties may contribute to protective effects in various disease models. Further studies are needed to confirm its therapeutic potential.
|
| Enzyme Assay |
AChE inhibitory activity is measured using Ellman's assay with acetylthiocholine as substrate. The enzyme is incubated with Isoeugenol acetate, and the rate of thiocholine production is measured spectrophotometrically.
|
| Cell Assay |
Cancer cell lines or microbial cultures are treated with Isoeugenol acetate. Cell viability is measured by MTT assay, and antimicrobial activity is assessed by disc diffusion or broth microdilution methods.
|
| Animal Protocol |
Animal models of inflammation or infection are used to evaluate in vivo effects. Isoeugenol acetate is administered orally or topically, and parameters such as inflammatory markers, pain, or microbial load are measured.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties are not extensively characterized. As a small lipophilic molecule, it is expected to be well absorbed. It is metabolized in the liver and excreted in urine.
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| Toxicity/Toxicokinetics |
Isoeugenol acetate is generally recognized as safe for use as a flavoring agent. However, high doses may cause skin irritation or sensitization. It is not intended for systemic therapeutic use.
|
| References | |
| Additional Infomation |
Isoeugenol acetate is a phenylpropanoid compound, specifically the acetate ester of trans-isoeugenol. It belongs to the phenylpropanoid class, the monomethoxybenzene class, and is also a member of the phenylacetate class. Its function is related to that of trans-isoeugenol. Isoeugenol acetate has been reported to be present in valerian (Valeriana officinalis), and relevant data are available for reference.
Isoeugenol acetate is approved as a flavoring agent and fragrance ingredient. It has no systemic therapeutic approval. It is used in research for its antioxidant, antimicrobial, and anticancer properties. |
| Molecular Formula |
C12H14O3
|
|---|---|
| Molecular Weight |
206.2378
|
| Exact Mass |
206.094
|
| CAS # |
93-29-8
|
| Related CAS # |
(E)-Isoeugenol acetate; Isoeugenol acetate; 93-29-8
|
| PubChem CID |
876160
|
| Appearance |
White to off-white solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
283.0±20.0 °C at 760 mmHg
|
| Melting Point |
79-81 °C(lit.)
|
| Flash Point |
113.9±16.4 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.539
|
| Source |
Originated from plants: Annonaceae Cananga odorata
|
| LogP |
2.54
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
15
|
| Complexity |
235
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C/C=C/C1=CC(=C(C=C1)OC(=O)C)OC
|
| InChi Key |
IUSBVFZKQJGVEP-SNAWJCMRSA-N
|
| InChi Code |
InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+
|
| Chemical Name |
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate
|
| 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 (In Vitro) |
DMSO : ~100 mg/mL (~484.87 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.12 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (12.12 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.8487 mL | 24.2436 mL | 48.4872 mL | |
| 5 mM | 0.9697 mL | 4.8487 mL | 9.6974 mL | |
| 10 mM | 0.4849 mL | 2.4244 mL | 4.8487 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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