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| Other Sizes |
| Targets |
p-Hydroxyphenethyl anisate is a bioactive compound that is a main constituent of Notopterygium Radix. While its precise molecular targets are not fully elucidated, it is believed to contribute to the anti-inflammatory and analgesic properties of the herb. It may act by modulating inflammatory pathways, similar to other phenolic compounds.
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| ln Vitro |
In vitro, p-Hydroxyphenethyl anisate has been studied for its potential bioactivity. As a main component of Notopterygium Radix, it is likely responsible for some of the herb's observed anti-inflammatory and analgesic effects in cell-based assays. However, specific potency data, such as IC50 values, are not widely reported in the literature for this compound alone.
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| ln Vivo |
In vivo, the compound's activity is primarily associated with the traditional use of Notopterygium Radix. This herb is used in Chinese medicine to treat conditions like rheumatoid arthritis and other inflammatory disorders. The compound is believed to contribute to the analgesic and anti-inflammatory effects observed when the herb is administered in vivo.
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| Enzyme Assay |
The in vitro enzyme/receptor binding assay for p-Hydroxyphenethyl anisate is not well established. Its activity is often studied in the context of the whole plant extract. However, to study its mechanism, it could be used in assays targeting inflammatory mediators like COX-2 or 5-LOX, where its ability to inhibit these enzymes would be measured.
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| Cell Assay |
In vitro cell culture studies for p-Hydroxyphenethyl anisate are limited. It could be used to treat macrophage cell lines like RAW 264.7, which are stimulated with LPS to induce an inflammatory response. The compound's ability to reduce the production of pro-inflammatory cytokines (TNF-α, IL-6) would be measured by ELISA to assess its anti-inflammatory activity.
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| Animal Protocol |
In vivo animal models for studying p-Hydroxyphenethyl anisate are not specific to the compound. However, the standard models for the parent herb, Notopterygium Radix, include carrageenan-induced paw edema in rats to test for anti-inflammatory activity. In such studies, the extract is administered orally, and paw volume is measured to assess the reduction in edema.
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| ADME/Pharmacokinetics |
p-Hydroxyphenethyl anisate is a solid compound with a molecular weight of 272.29 g/mol. It is soluble in organic solvents like DMSO and ethanol. It is a natural product that is typically stored as a powder at room temperature or under refrigeration. Its stability is maintained under standard storage conditions.
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| Toxicity/Toxicokinetics |
Toxicological data for p-Hydroxyphenethyl anisate are limited. As a natural product from a traditional medicinal herb, it is generally considered to have low toxicity. However, comprehensive toxicological studies have not been reported for the pure compound. It is a research compound not intended for human therapeutic use.
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| References | |
| Additional Infomation |
2-(4-hydroxyphenyl)ethyl 4-methoxybenzoic acid is a methoxybenzoic acid. It has been reported that 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoic acid ester is found in Rhodiola rosea, Euphorbia pekinensis, and other organisms with relevant data.
p-Hydroxyphenethyl anisate is a research compound and analytical standard used for the quality control and standardization of Notopterygium Radix. It is also used in the development of novel polymer sustained-release materials. It has no approval for clinical use and is used exclusively for research purposes. |
| Molecular Formula |
C16H16O4
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|---|---|
| Molecular Weight |
272.2958
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| Exact Mass |
272.104
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| CAS # |
87932-34-1
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| PubChem CID |
14704104
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.199±0.06 g/cm3
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| Boiling Point |
446.5±30.0 °C at 760 mmHg
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| Flash Point |
165.4±18.1 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.582
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| LogP |
3.56
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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 |
6
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| Heavy Atom Count |
20
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| Complexity |
289
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C1C=CC(OC)=CC=1)OCCC1C=CC(O)=CC=1
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| InChi Key |
DSMAYKYXHOGICG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H16O4/c1-19-15-8-4-13(5-9-15)16(18)20-11-10-12-2-6-14(17)7-3-12/h2-9,17H,10-11H2,1H3
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| Chemical Name |
2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate
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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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6724 mL | 18.3621 mL | 36.7242 mL | |
| 5 mM | 0.7345 mL | 3.6724 mL | 7.3448 mL | |
| 10 mM | 0.3672 mL | 1.8362 mL | 3.6724 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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