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| Other Sizes |
| Targets |
The primary target of 4-Butoxyphenol is ribonucleotide reductase (RR), an enzyme crucial for DNA synthesis. The compound inactivates RR by targeting the catalytically essential tyrosyl radical within the enzyme's active site. This interaction leads to the inhibition of DNA synthesis and cell proliferation. Additionally, 4-Butoxyphenol interacts with respiratory chain proteins, reducing mitochondrial membrane potential and inhibiting cellular respiration, resulting in the accumulation of reactive oxygen species (ROS) and oxidative stress. These mechanisms suggest potential anti-cancer activity through the disruption of cellular energy metabolism and DNA replication.
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| ln Vitro |
4-Butoxyphenol is a substance that is organic.
In vitro studies have demonstrated that 4-Butoxyphenol exhibits significant antioxidant activity as measured by the ORAC assay. The compound has been shown to inactivate ribonucleotide reductase in tumor cells, inhibiting DNA synthesis. It also reduces mitochondrial membrane potential and inhibits cellular respiration by interacting with respiratory chain proteins, leading to ROS accumulation and oxidative stress. These in vitro activities suggest that 4-Butoxyphenol may have potential as an anti-cancer agent by targeting cellular energy metabolism and DNA replication pathways. |
| ln Vivo |
In vivo biological activity of 4-Butoxyphenol has been explored in the context of its antioxidant and potential anti-cancer properties. The compound has been used in the treatment of skin and eye infections and for its antioxidant properties. However, detailed in vivo efficacy studies in animal models are limited. The compound's ability to scavenge free radicals suggests it may have protective effects against oxidative damage in living systems. Further research is needed to fully characterize its in vivo pharmacological profile and therapeutic potential.
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| Enzyme Assay |
Non-cellular experiments for studying 4-Butoxyphenol's activity typically involve measuring its antioxidant capacity using the ORAC assay. In this assay, the compound's ability to scavenge peroxyl radicals is measured by monitoring the decay of fluorescence from a probe. The compound's interaction with ribonucleotide reductase can be studied using purified enzyme preparations, where the inactivation of the tyrosyl radical is monitored by electron paramagnetic resonance (EPR) spectroscopy. Its effects on mitochondrial respiration can be assessed using isolated mitochondria and oxygen consumption measurements.
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| Cell Assay |
In vitro cell-based experiments with 4-Butoxyphenol typically involve treating cultured tumor cells with varying concentrations of the compound and assessing cell viability, DNA synthesis, and mitochondrial function. The compound's effects on ribonucleotide reductase activity can be measured by monitoring DNA synthesis through thymidine incorporation assays. Mitochondrial membrane potential can be assessed using fluorescent probes such as JC-1, while ROS production can be measured using DCFH-DA staining. These experiments help elucidate the compound's mechanism of action and potential anti-cancer activity.
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| Animal Protocol |
In vivo animal studies with 4-Butoxyphenol are limited, but the compound has been investigated for its potential therapeutic applications in skin and eye infections. Animal models of oxidative stress or tumor growth could be used to evaluate the compound's efficacy. However, detailed pharmacokinetic and toxicological studies in animals are not widely available. Further research is needed to establish the compound's in vivo efficacy and safety profile.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-Butoxyphenol are not extensively characterized. The compound has a molecular weight of 166.22 g/mol and is relatively lipophilic due to the butoxy group. Its logP value is estimated to be around 2-3, suggesting moderate lipophilicity and good membrane permeability. The compound's metabolism likely involves oxidation of the butyl side chain and conjugation of the phenolic hydroxyl group. However, detailed pharmacokinetic data, including absorption, distribution, metabolism, and excretion, are not available.
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| Toxicity/Toxicokinetics |
Toxicological information for 4-Butoxyphenol is limited. The compound has been studied for its effects on mitochondrial function and cellular respiration, which may contribute to its toxicity at high concentrations. It is known to cause oxidative stress through the accumulation of ROS. The compound should be handled with appropriate safety precautions, as it may be irritating to skin and eyes. No carcinogenic or reproductive toxicity data are available. Researchers should consult the safety data sheet for specific hazard information.
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| Additional Infomation |
4-Butoxyphenol is an aromatic ether.
4-Butoxyphenol is a phenolic compound with antioxidant properties and potential anti-cancer activity through the inhibition of ribonucleotide reductase. Its CAS number is 122-94-1. The compound is used as an intermediate in the synthesis of antioxidants and stabilizers, as well as in polymer chemistry. It has been studied for its effects on mitochondrial function and cellular respiration. The compound is not approved as a therapeutic agent but continues to be investigated for its potential pharmacological applications. |
| Molecular Formula |
C10H14O2
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|---|---|
| Molecular Weight |
166.22
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| Exact Mass |
166.099
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| CAS # |
122-94-1
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| PubChem CID |
31233
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| Appearance |
Light brown to brown solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
278.0±13.0 °C at 760 mmHg
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| Melting Point |
65-66 °C(lit.)
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| Flash Point |
132.4±4.8 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.516
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| LogP |
2.9
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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 |
4
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| Heavy Atom Count |
12
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| Complexity |
106
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCOC1=CC=C(C=C1)O
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| InChi Key |
MBGGFXOXUIDRJD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3
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| Chemical Name |
4-butoxyphenol
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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. |
| 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 | 6.0161 mL | 30.0806 mL | 60.1612 mL | |
| 5 mM | 1.2032 mL | 6.0161 mL | 12.0322 mL | |
| 10 mM | 0.6016 mL | 3.0081 mL | 6.0161 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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