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| Targets |
The primary biological target of 4-Methoxyphenethyl alcohol is Escherichia coli, where it inhibits protein, RNA, and DNA synthesis. The compound prevents E. coli from synthesizing proteins, RNA, and DNA, leading to bacteriostatic effects. The mechanism involves interference with macromolecular synthesis pathways in bacterial cells, though the specific molecular targets have not been fully elucidated. As an aromatic alcohol, it may also interact with cellular membranes and affect membrane integrity.
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| ln Vitro |
4-Methoxyphenethyl alcohol demonstrates in vitro antibacterial activity against Escherichia coli, with a complete bacteriostatic concentration of 4.8 mM. It inhibits the synthesis of DNA, RNA, and protein in E. coli. This compound can prevent E. coli from synthesizing proteins, RNA, and DNA. The compound exhibits properties typical of alcohols, including the ability to participate in hydrogen bonding, which influences its biological activity. It is also used as a building block for beta-blockers and vasodilators.
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| ln Vivo |
In vivo studies for 4-Methoxyphenethyl alcohol have not been extensively documented in the available literature. As an aromatic alcohol with antibacterial activity, it has potential for in vivo applications. The compound is a primary component of the anise-like odor produced by Amorphophallus and is used in fragrance chemistry. It may also exhibit biological activity, making it a subject of interest in medicinal chemistry and pharmacology. However, detailed in vivo efficacy data in animal models are not currently available.
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| Enzyme Assay |
For antibacterial activity testing, 4-Methoxyphenethyl alcohol is evaluated against Escherichia coli cultures. Bacterial cultures are grown in appropriate media and treated with the compound at various concentrations. The bacteriostatic concentration is determined by measuring bacterial growth inhibition. For macromolecular synthesis inhibition studies, E. coli cultures are treated with the compound and the incorporation of radiolabeled precursors (e.g., [3H]-thymidine for DNA, [3H]-uridine for RNA, [3H]-leucine for protein) is measured by scintillation counting.
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| Cell Assay |
For cellular studies, Escherichia coli cultures are grown in appropriate liquid media and treated with 4-Methoxyphenethyl alcohol at various concentrations. Bacterial growth is monitored by measuring optical density at 600 nm. The complete bacteriostatic concentration is determined as the concentration that completely inhibits bacterial growth. For macromolecular synthesis inhibition, radiolabeled precursors are added to cultures and incorporation into DNA, RNA, and protein is measured by scintillation counting after precipitation. Cytotoxicity in mammalian cells can be assessed using MTT assays.
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| Animal Protocol |
For in vivo efficacy studies, appropriate animal models of bacterial infection would be used to evaluate 4-Methoxyphenethyl alcohol. Rodents would be infected with Escherichia coli and administered the compound via oral or parenteral routes at various doses. Endpoints would include survival, bacterial clearance from tissues, and histopathological analysis. However, detailed in vivo protocols for 4-Methoxyphenethyl alcohol have not been extensively reported in the literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-Methoxyphenethyl alcohol have not been fully characterized in the available literature. The compound has a molecular weight of 152.19 and is a small aromatic alcohol with moderate water solubility. It exhibits properties typical of alcohols, including the ability to participate in hydrogen bonding, which influences its boiling point and solubility. The compound is widely used in pharmaceutical synthesis and fragrance chemistry. Comprehensive PK studies are needed to fully understand its ADME properties.
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| Toxicity/Toxicokinetics |
4-Methoxyphenethyl alcohol is a research compound intended for laboratory use only and is not approved for human therapeutic use. As an aromatic alcohol, it exhibits antibacterial activity against Escherichia coli by inhibiting protein, RNA, and DNA synthesis. The compound is widely used in pharmaceutical synthesis and fragrance chemistry. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
It has been reported that water lilies (Nymphaea rudgeana), white arum (Amorphophallus albispathus), and other organisms with available data contain 4-methoxyphenylethanol.
4-Methoxyphenethyl alcohol is an aromatic alcohol with molecular formula C9H12O2 and molecular weight 152.19. It inhibits protein, RNA, and DNA synthesis in Escherichia coli with a complete bacteriostatic concentration of 4.8 mM. The compound is a major component of the anise-like odor produced by Amorphophallus and is widely used in pharmaceutical synthesis and fragrance chemistry. It is for research use only and has not been approved for clinical applications. |
| Molecular Formula |
C9H12O2
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|---|---|
| Molecular Weight |
152.19
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| Exact Mass |
152.083
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| CAS # |
702-23-8
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| PubChem CID |
69705
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| Appearance |
Colorless to off-white <26°C solid; >28°C liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
257.5±15.0 °C at 760 mmHg
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| Melting Point |
26-28 °C(lit.)
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| Flash Point |
110.2±14.6 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.524
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| LogP |
1.27
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
11
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| Complexity |
95.7
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC=C(C=C1)CCO
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| InChi Key |
AUWDOZOUJWEPBA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3
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| Chemical Name |
2-(4-methoxyphenyl)ethanol
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| Synonyms |
p-Methoxyphenylethanol; 4-Methoxyphenethyl alcohol
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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) |
DMSO : ~100 mg/mL (~657.1 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.43 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 (16.43 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 (16.43 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 | 6.5707 mL | 32.8537 mL | 65.7073 mL | |
| 5 mM | 1.3141 mL | 6.5707 mL | 13.1415 mL | |
| 10 mM | 0.6571 mL | 3.2854 mL | 6.5707 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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