| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
COX 4.35 μM (IC50) 5-LOX 5.75 μM (IC50)
Phenethyl ferulate targets the inflammatory enzymes cyclooxygenase (COX) and 5-lipoxygenase (5-LOX). It shows inhibitory activity against both pathways, which are central to the biosynthesis of prostaglandins and leukotrienes, respectively. It inhibits COX with an IC50 of 4.35 microM and 5-LOX with an IC50 of 5.75 microM. This dual inhibition makes it a unique tool for dissecting the complex interplay between these two lipid mediator cascades. |
|---|---|
| ln Vitro |
In vitro, Phenethyl ferulate demonstrates potent inhibitory activity against two key inflammatory pathways. It inhibits cyclooxygenase (COX) with an IC50 of 4.35 microM and 5-lipoxygenase (5-LOX) with an IC50 of 5.75 microM. This dual activity suggests that it can block the production of both prostaglandins and leukotrienes simultaneously, making it a potentially more effective anti-inflammatory agent than compounds that target only one pathway.
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| ln Vivo |
Published in vivo activity data for Phenethyl ferulate is not detailed in the provided sources. As a COX/5-LOX dual inhibitor, it has the potential to be an effective anti-inflammatory agent in animal models. It could be evaluated in standard models such as carrageenan-induced paw edema (measuring COX-driven inflammation) or a mouse asthma model (measuring 5-LOX-driven leukotriene production). Further research is needed to confirm its in vivo efficacy.
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| Enzyme Assay |
To determine the dual inhibitory activity of Phenethyl ferulate, cell-free enzyme assays are performed for both targets. For COX inhibition, ovine COX-1 or human recombinant COX-2 is incubated with Phenethyl ferulate (various concentrations) and the substrate arachidonic acid. The production of prostaglandin PGH2 is measured. For 5-LOX inhibition, the enzyme is incubated with the compound and the substrate arachidonic acid, and the product 5-HETE is quantified by HPLC. The IC50 values for both enzymes are calculated from these assays.
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| Cell Assay |
For cell-based assays, RAW 264.7 macrophages are seeded and pre-treated with Phenethyl ferulate at concentrations of 1-20 uM. Cells are then stimulated with lipopolysaccharide (LPS) to induce an inflammatory response. After 24 hours, the cell culture supernatant is collected. The levels of prostaglandin E2 (PGE2, a COX product) and leukotriene B4 (LTB4, a 5-LOX product) are measured by specific ELISA kits to confirm the compound's dual inhibitory activity in a cellular context. Cell viability is assessed via an MTT assay.
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| Animal Protocol |
For in vivo studies, a generic protocol for testing a COX/5-LOX inhibitor could be a mouse air pouch model. Phenethyl ferulate would be formulated in a vehicle like 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline. Mice would be treated orally at doses ranging from 10-100 mg/kg. An inflammatory stimulus (e.g., zymosan A) would be injected into the pouch. Exudate is then collected to measure PGE2 and LTB4 levels by ELISA, and the inflammatory cell count is determined. This would provide direct evidence of in vivo enzyme inhibition and anti-inflammatory activity.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Phenethyl ferulate is limited. The compound has a molecular weight of 298.33 g/mol. It is soluble in DMSO (50 mg/mL). For in vivo studies, a formulation of 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline has been tested for solubility (≥ 2.5 mg/mL). Researchers would need to conduct PK studies to determine its half-life, Cmax, and oral bioavailability in their specific animal model.
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| Toxicity/Toxicokinetics |
Publicly available toxicology data for Phenethyl ferulate is limited. In cell-based assays, concentrations up to 20 uM are typically used without reports of overt cytotoxicity, as confirmed by parallel MTT viability assays. For any animal study, a preliminary acute toxicity test to determine the maximum tolerated dose (MTD) would be essential. Standard safety precautions for handling chemical reagents should be followed.
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| References | |
| Additional Infomation |
Phenylethyl 3-methyl caffeic acid ester has been reported in Hansenia forbesii, Hansenia weberbaueriana, and propolis, and relevant data are available for reference.
Phenethyl ferulate is a research-grade natural product and is not approved for clinical use. It is a valuable chemical tool for studying the pharmacological effects of dual COX/5-LOX inhibition. As a major constituent of the traditional medicine Qianghuo, it also serves as a quality control marker for botanical extracts. The compound is typically stored at -20degC as a powder, protected from light and moisture. For research use only. |
| Molecular Formula |
C18H18O4
|
|---|---|
| Molecular Weight |
298.33
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| Exact Mass |
300.136
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| CAS # |
71835-85-3
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| PubChem CID |
5284444
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| Appearance |
White to off-white solid powder
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| Density |
1.193g/cm3
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| Boiling Point |
474.7ºC at 760 mmHg
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| Melting Point |
81℃
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| Flash Point |
171.6ºC
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| Index of Refraction |
1.606
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| LogP |
3.119
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
22
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| Complexity |
360
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC=CC=C2)O
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| InChi Key |
CZQNYPBIOHVQQN-CSKARUKUSA-N
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| InChi Code |
InChI=1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
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| Chemical Name |
2-phenylethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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: 50 mg/mL (167.60 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.38 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 (8.38 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 (8.38 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 | 3.3520 mL | 16.7600 mL | 33.5199 mL | |
| 5 mM | 0.6704 mL | 3.3520 mL | 6.7040 mL | |
| 10 mM | 0.3352 mL | 1.6760 mL | 3.3520 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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