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| Other Sizes |
| Targets |
The primary targets of Phenoxyacetic acid include pathways involved in plant growth regulation, where it acts as an auxin-type growth regulator. Its derivatives target insect pests, weeds, and fungal pathogens. The compound also exhibits antioxidant activity, inhibits nitric oxide synthase, and induces apoptosis via the Fas/FasL system. It has antiviral properties against HIV. These targets make it relevant for agricultural and pharmaceutical research.
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| ln Vitro |
In vitro, Phenoxyacetic acid demonstrates auxin-type growth regulator activity. Its derivatives show insecticidal, herbicidal, and antifungal activities. The compound exhibits antioxidant activity and inhibits nitric oxide synthase. It induces apoptosis via the Fas/FasL system without interaction with steroid and adrenergic receptors. It also has antiviral properties against HIV. These in vitro activities support its use in agricultural and pharmaceutical research.
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| ln Vivo |
In vivo, Phenoxyacetic acid is used as a plant growth regulator in agricultural applications. Its derivatives are used as herbicides, insecticides, and fungicides. The compound is a metabolite of 2-phenoxyethanol and is present as a human xenobiotic metabolite. Its antiviral properties against HIV suggest potential therapeutic applications, although detailed in vivo efficacy data are limited.
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| Enzyme Assay |
In vitro enzyme assays for Phenoxyacetic acid include nitric oxide synthase inhibition assays. The compound is incubated with enzyme preparations at concentrations ranging from 0.1-1000 μM, and NO production is measured. Antioxidant activity is assessed using DPPH or ABTS radical scavenging assays. Antiviral activity against HIV is assessed using cell-based infection assays. Apoptosis induction is evaluated using caspase activity assays. All assays include appropriate controls and reference compounds.
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| Cell Assay |
In vitro cell-based assays for Phenoxyacetic acid are conducted using various cell lines depending on the application. For antiviral studies, HIV-infected cells are treated with compound concentrations ranging from 0.1-1000 μM for 24-72 hours, and viral replication is measured. Apoptosis is evaluated by annexin V/PI staining and caspase activity assays. Antioxidant effects are assessed by measuring ROS levels. Cell viability is assessed using MTT assays. Experiments include vehicle controls and positive controls.
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| Animal Protocol |
In vivo animal studies with Phenoxyacetic acid are limited for therapeutic applications. Agricultural studies are conducted in plants to assess growth regulation, herbicidal, insecticidal, and antifungal activities. The compound is applied as a spray or soil treatment at various concentrations. Plant growth, pest control, and disease resistance are monitored. For pharmaceutical applications, further studies are needed in animal models of HIV or other diseases.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Phenoxyacetic acid include its formation as a metabolite of 2-phenoxyethanol. As a small, polar molecule (MW 152.15, C8H8O3), it is expected to have moderate oral bioavailability. The compound is a human xenobiotic metabolite and likely undergoes hepatic metabolism through conjugation, with elimination via renal excretion. Detailed PK parameters such as half-life, Cmax, and AUC require further investigation.
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| Toxicity/Toxicokinetics |
Toxicological data for Phenoxyacetic acid indicate that it is generally well-tolerated at concentrations used for research. The compound is used in the manufacture of pharmaceuticals, pesticides, and other products. Comprehensive toxicological studies have been conducted as part of its safety evaluation for agricultural and pharmaceutical applications. As with all research chemicals, appropriate safety precautions should be taken during handling.
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| Additional Infomation |
Phenoxyacetic acid is a monocarboxylic acid and an O-phenyl derivative of glycolic acid. It is a metabolite of 2-phenoxyethanol and is used in the manufacture of pharmaceuticals, pesticides, fungicides, and dyes. It is a human xenobiotic metabolite, an Aspergillus metabolite, a plant growth inhibitor, and an allergen. It is a monocarboxylic acid and aromatic ether, functionally related to glycolic acid, and is the conjugate acid of phenoxyacetic acid esters. Phenoxyacetic acid has been reported to be detected in Aspergillus niger, and relevant data are available. See also: Phenoxyacetic acid esters (note moved to).
Phenoxyacetic acid is a multifunctional compound used as a drug prodrug, auxin-type growth regulator, and metabolite of 2-phenoxyethanol. Its derivatives have insecticidal, herbicidal, and antifungal activities. The compound exhibits antioxidant activity, inhibits nitric oxide synthase, induces apoptosis, and has antiviral properties against HIV. It is used in agricultural and pharmaceutical research. Not approved for clinical therapeutic use; intended for research purposes. |
| Molecular Formula |
C8H8O3
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|---|---|
| Molecular Weight |
152.1473
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| Exact Mass |
152.047
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| CAS # |
122-59-8
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| Related CAS # |
Phenoxyacetic acid-d5;154492-74-7
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| PubChem CID |
19188
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
285.0±0.0 °C at 760 mmHg
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| Melting Point |
98-100 °C(lit.)
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| Flash Point |
115.1±13.3 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.541
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| LogP |
1.34
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
11
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| Complexity |
127
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
LCPDWSOZIOUXRV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
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| Chemical Name |
2-phenoxyacetic acid
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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 : ~50 mg/mL (~328.62 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 | 6.5725 mL | 32.8623 mL | 65.7246 mL | |
| 5 mM | 1.3145 mL | 6.5725 mL | 13.1449 mL | |
| 10 mM | 0.6572 mL | 3.2862 mL | 6.5725 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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