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2-Hydroxyphenylacetic acid is a metabolite of phenylalanine and tyrosine. It is excreted in urine of patients with phenylketonuria, indicating alternative metabolic pathways. The compound is a human and mouse metabolite. It belongs to the phenolic class of compounds. Its presence in urine is indicative of metabolic disorders.
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| ln Vitro |
In vitro, 2-Hydroxyphenylacetic acid is used as a metabolite in phenylalanine and tyrosine metabolism studies. It is a product of biotransformation of phenylacetonitrile by marine fungi. The compound is used as an analytical standard for metabolic research. Its role as a human and mouse metabolite has been characterized.
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| ln Vivo |
In vivo, 2-Hydroxyphenylacetic acid is a metabolite of phenylalanine and tyrosine excreted in urine. It is found in the urine of patients with phenylketonuria and in heterozygotes of PKU after phenylalanine dosage. The compound is a human and mouse metabolite. Its presence in urine is indicative of phenylalanine metabolism disorders.
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| Enzyme Assay |
In vitro enzyme assays for 2-Hydroxyphenylacetic acid involve measuring its formation from phenylalanine or phenylacetonitrile. Enzymes involved in phenylalanine metabolism are assessed using the compound as a metabolite. For analytical applications, the compound is measured in biological samples by HPLC or LC-MS. Assays are performed in appropriate buffer systems with positive controls.
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| Cell Assay |
In vitro cell-based assays for 2-Hydroxyphenylacetic acid are conducted in various cell lines to study phenylalanine metabolism. Cells are cultured in appropriate media and treated with phenylalanine or phenylacetonitrile. 2-Hydroxyphenylacetic acid formation is measured. Cell viability is assessed by standard assays. Experiments are performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
2-Hydroxyphenylacetic acid in vivo studies are conducted in animal models of phenylketonuria. Animals are administered phenylalanine and 2-hydroxyphenylacetic acid levels in urine are measured. For metabolic studies, animals are treated with the compound and its metabolism is assessed. Animals are monitored for clinical signs. Tissues and blood samples are collected for biochemical analysis. Studies are conducted in accordance with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
2-Hydroxyphenylacetic acid (MW 152.15 g/mol, C8H8O3) is a hydroxy monocarboxylic acid and metabolite of phenylalanine and tyrosine. It is a human and mouse metabolite. The compound is soluble in water and other appropriate solvents. It is stable under recommended storage conditions. 2-Hydroxyphenylacetic acid is used as an analytical standard in metabolic research. Pharmacokinetic parameters such as half-life and bioavailability would be determined in species-specific studies.
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| Toxicity/Toxicokinetics |
2-Hydroxyphenylacetic acid is generally well-tolerated as a metabolite. The compound is a metabolite of phenylalanine and tyrosine excreted in urine. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard laboratory safety practices should be employed when handling this compound. Comprehensive toxicological evaluation would be required for therapeutic development.
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| References | |
| Additional Infomation |
(2-Hydroxyphenyl)acetic acid is a hydroxy monocarboxylic acid, a product of acetic acid in which one methyl hydrogen atom is replaced by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is found in the urine of patients with diseases such as phenylketonuria. It is a metabolite in both humans and mice. It belongs to the phenolic class of compounds and is also a hydroxy monocarboxylic acid. Functionally, it is associated with both acetic acid and phenolic compounds. It is the conjugate acid of (2-hydroxyphenyl)acetic acid ester. 2-Hydroxyphenylacetic acid has been reported to be detected in Grosmannia crassivaginata, Tragopogon orientalis, and several other organisms with relevant data. See also: (2-Hydroxyphenyl)acetic acid ester (note moved to).
2-Hydroxyphenylacetic acid is a hydroxy monocarboxylic acid and metabolite of phenylalanine and tyrosine. It is excreted in urine of patients with phenylketonuria and is a human and mouse metabolite. The compound is also a product of biotransformation of phenylacetonitrile by marine fungi. Its molecular formula is C8H8O3 with a molecular weight of 152.15 g/mol.All applications are limited to non-human research use. |
| Molecular Formula |
C8H8O3
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| Molecular Weight |
152.1473
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| Exact Mass |
152.047
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| CAS # |
614-75-5
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| PubChem CID |
11970
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| Appearance |
Solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
321.8±22.0 °C at 760 mmHg
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| Melting Point |
145-147 °C(lit.)
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| Flash Point |
162.6±18.8 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.591
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| LogP |
0.92
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
144
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
CCVYRRGZDBSHFU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
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| Chemical Name |
2-(2-hydroxyphenyl)acetic 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 : ~100 mg/mL (~657.25 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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