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| 5mg |
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| Targets |
The molecular targets of p-Coumaryl alcohol include oxidative stress pathways and inflammatory mediators. The compound's antioxidant activity involves inhibition of lipid peroxidation, as demonstrated by its inhibitory effect on methyl linoleate autoxidation. As a monolignol, it is a substrate for enzymes involved in lignin biosynthesis, such as peroxidases and laccases. Its anti-inflammatory effects are mediated through modulation of inflammatory pathways.
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| ln Vitro |
In vitro studies demonstrate that p-Coumaryl alcohol has antioxidant activity by inhibiting the autoxidation of methyl linoleate. The compound's antioxidant properties have been characterized through various assays. As a monolignol, it participates in oxidative coupling reactions in lignin biosynthesis. Its anti-inflammatory effects have also been noted. These in vitro activities support its potential for oxidative stress and inflammation research.
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| ln Vivo |
In vivo studies of p-Coumaryl alcohol have shown that it has antioxidant and anti-inflammatory effects. As an endogenous metabolite, it is naturally present in the body and may contribute to physiological antioxidant defenses. Its inhibitory effect on lipid peroxidation suggests potential benefits in models of oxidative stress. However, specific in vivo efficacy data are not detailed in the available literature.
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| Enzyme Assay |
Typical in vitro assays for p-Coumaryl alcohol include antioxidant assays such as the methyl linoleate autoxidation inhibition assay. The compound is incubated with methyl linoleate, and the extent of oxidation is measured by monitoring conjugated diene formation or peroxide value. DPPH and ABTS radical scavenging assays are also used. For lignin biosynthesis studies, the compound is used as a substrate for peroxidase or laccase assays, and the formation of oligolignols is monitored by HPLC or UV-Vis spectroscopy.
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| Cell Assay |
Cell-based assays for p-Coumaryl alcohol typically involve treating cultured cells (macrophages, endothelial cells) with the compound at concentrations ranging from 1-100 µM for 24-48 hours. Inflammatory markers such as NO, TNF-α, and IL-6 are measured by ELISA or Griess assay. ROS levels are measured using fluorescent probes. Cell viability is assessed by MTT assay. For antioxidant studies, cells are exposed to oxidative stress inducers, and protective effects are assessed.
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| Animal Protocol |
In vivo animal experiments for p-Coumaryl alcohol are not detailed in the available literature. For anti-inflammatory studies, typical animal models include carrageenan-induced paw edema or LPS-induced systemic inflammation. The compound is administered orally or intraperitoneally at doses ranging from 10-100 mg/kg. Inflammatory markers and oxidative stress markers in tissues are assessed. For antioxidant studies, models of oxidative stress are used.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for p-Coumaryl alcohol are limited. As a small phenolic compound with a molecular weight of 150.17 g/mol, it would be expected to have good oral bioavailability. The compound is an endogenous metabolite and is naturally present in the body. It is likely absorbed and metabolized by conjugation reactions (glucuronidation, sulfation). However, detailed PK parameters are not available in the consulted sources.
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| Toxicity/Toxicokinetics |
Toxicological data for p-Coumaryl alcohol are limited. As a naturally occurring endogenous metabolite and antioxidant, it is generally considered to have low toxicity. The compound is a lignin monomer and is present in many plants. No significant toxicity has been reported. Standard laboratory safety precautions should be followed when handling the compound.
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| References |
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| Additional Infomation |
Trans-p-coumarol is a 4-hydroxycinnamicol with an E-configuration of the propenyl double bond. It is one of the major lignin monomers and possesses the functions of lignin monomers. It is a phenylpropanoid compound, belonging to the phenolic class, and is also a 4-hydroxycinnamicol. Functionally, it is related to (E)-cinnamicol. It has been reported that p-coumarol is present in potatoes (Solanum tuberosum), galangal (Alpinia officinarum), and several other organisms with relevant data. See also: Sodium lignosulfonate (monomer); Ammonium lignosulfonate (monomer); Calcium lignosulfonate (molecular weight 20000) (monomer)... See more...
p-Coumaryl alcohol is a natural antioxidant, monolignol, and endogenous metabolite with antioxidant and anti-inflammatory effects. It is isolated from Alpinia officinarum Hance and inhibits methyl linoleate autoxidation. The compound is a lignin monomer involved in plant cell wall biosynthesis. It is used in research on oxidative stress, inflammation, and lignin biosynthesis. It is not approved for any clinical indication. |
| Molecular Formula |
C9H10O2
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|---|---|
| Molecular Weight |
150.17
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| Exact Mass |
150.068
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| CAS # |
3690-05-9
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| Related CAS # |
(E)-p-Coumaryl alcohol;20649-40-5
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| PubChem CID |
5280535
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
323.5±22.0 °C at 760 mmHg
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| Melting Point |
124°C(lit.)
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| Flash Point |
162.7±16.9 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.641
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| LogP |
1.16
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
124
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| Defined Atom Stereocenter Count |
0
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| SMILES |
OC/C=C/C1C=CC(O)=CC=1
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| InChi Key |
PTNLHDGQWUGONS-OWOJBTEDSA-N
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| InChi Code |
InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+
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| Chemical Name |
4-[(E)-3-hydroxyprop-1-enyl]phenol
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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 | 6.6591 mL | 33.2956 mL | 66.5912 mL | |
| 5 mM | 1.3318 mL | 6.6591 mL | 13.3182 mL | |
| 10 mM | 0.6659 mL | 3.3296 mL | 6.6591 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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