| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| Other Sizes |
| Targets |
The primary "target" of (S)-2-Hydroxy-3-phenylpropanoic acid is the metabolic pathway in which it participates as a metabolite. As an endogenous metabolite, it does not have a pharmacological target in the traditional sense; rather, it is a product of phenylalanine catabolism. The compound is formed from phenylpyruvate by the action of lactate dehydrogenase or other enzymes. In phenylketonuria, the accumulation of phenylalanine leads to the production of phenylpyruvate and subsequently phenyllactic acid. The compound may serve as a substrate for various enzymes, including dehydrogenases and hydroxylases.
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| ln Vitro |
In vitro studies of (S)-2-Hydroxy-3-phenylpropanoic acid focus on its role as a metabolite and its use in biochemical research. The compound is used as a substrate in enzymatic assays to study the activity of dehydrogenases and other enzymes. In biochemical assays, the compound is incubated with enzymes and cofactors, and the reaction products are measured spectrophotometrically or by HPLC. The compound's stability in biological samples and its behavior under various analytical conditions have been characterized. It is also used as a standard in analytical chemistry for the identification and quantification of metabolites in biological samples. The compound's role in phenylalanine metabolism makes it a useful tool for studying metabolic disorders such as phenylketonuria.
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| ln Vivo |
In vivo, (S)-2-Hydroxy-3-phenylpropanoic acid is a normal metabolite that is produced and cleared as part of phenylalanine metabolism. Elevated levels of phenyllactic acid are found in body fluids of patients with phenylketonuria. The compound may be used as a biomarker for phenylketonuria and other metabolic disorders. In animal models, the compound's levels in blood and tissues may be measured to assess metabolic status and to evaluate the effects of dietary or pharmacological interventions. No specific pharmacological in vivo studies have been reported for this compound.
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| Enzyme Assay |
For metabolite quantification, (S)-2-Hydroxy-3-phenylpropanoic acid is measured in biological samples (serum, plasma, urine) using analytical methods such as GC-MS, LC-MS, or HPLC. Samples are extracted with organic solvents (e.g., methanol, acetonitrile) or protein precipitation reagents. For LC-MS analysis, a suitable column (e.g., C18 reverse-phase) is used, and the compound is detected by mass spectrometry. Quantification is performed using external calibration curves or isotope-labeled internal standards. For enzymatic assays, the compound can be used as a substrate for dehydrogenases, and enzyme activity is measured by following NADH or NADPH production/consumption spectrophotometrically at 340 nm.
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| Cell Assay |
For cellular studies, (S)-2-Hydroxy-3-phenylpropanoic acid is typically not used in standard cell culture experiments due to its role as a metabolic intermediate rather than a pharmacological agent. However, for metabolomics studies, cells are cultured in appropriate medium, and the medium or cell lysates are collected for metabolite extraction and analysis by LC-MS or GC-MS. For studies of phenylketonuria, cells may be treated with phenylalanine, and the production of phenyllactic acid is measured.
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| Animal Protocol |
For in vivo studies in animal models, (S)-2-Hydroxy-3-phenylpropanoic acid is typically not administered as a test compound. However, in metabolomics studies, animals (e.g., mice or rats) are used as models for metabolic disorders. Blood and urine samples are collected, and phenyllactic acid levels are measured by LC-MS or GC-MS. For studies of phenylketonuria, animal models with phenylalanine hydroxylase deficiency may be used. No specific dosing or administration protocols are reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for (S)-2-Hydroxy-3-phenylpropanoic acid are not applicable, as the compound is an endogenous metabolite rather than a drug. As a naturally occurring compound, it is continuously produced and metabolized in the body as part of normal phenylalanine metabolism. Its levels in blood and urine reflect its production and clearance rates. No specific pharmacokinetic parameters are reported.
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| Toxicity/Toxicokinetics |
(S)-2-Hydroxy-3-phenylpropanoic acid is a normal metabolite and is not considered toxic at physiological concentrations. However, elevated levels are associated with phenylketonuria, a metabolic disorder that can cause intellectual disability if untreated. No acute toxicity, organ-specific toxicity, or mutagenicity data have been reported. As with all chemicals, appropriate safety precautions should be taken when handling (S)-2-Hydroxy-3-phenylpropanoic acid.
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| Additional Infomation |
(S)-3-phenyllactic acid is the (S)-enantiomer of 3-phenyllactic acid. It is a (2S)-2-hydroxy monocarboxylic acid and also a 3-phenyllactic acid. It is the conjugate acid of (S)-3-phenyllactic acid. It is the enantiomer of (R)-3-phenyllactic acid. L-(-)-3-phenyllactic acid has been reported to exist in Euphorbia henleyii, Euphorbia petiolata, and other organisms with relevant data.
(S)-2-Hydroxy-3-phenylpropanoic acid (CAS 20312-36-1), also known as (S)-3-phenyllactic acid, is a product of phenylalanine catabolism. It has a molecular formula of C₉H₁₀O₃ and a molecular weight of 166.17. Elevated levels are found in body fluids of patients with phenylketonuria. The compound is a chiral alpha-hydroxy acid used in pharmaceutical and chemical research. It is a (2S)-2-hydroxy monocarboxylic acid and a 3-phenyllactic acid. The compound is strictly for research use only. |
| Molecular Formula |
C9H10O3
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|---|---|
| Molecular Weight |
166.1739
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| Exact Mass |
166.062
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| CAS # |
20312-36-1
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| Related CAS # |
D-(+)-Phenyllactic acid;7326-19-4
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| PubChem CID |
444718
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
331.6±22.0 °C at 760 mmHg
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| Melting Point |
121-125ºC
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| Flash Point |
168.5±18.8 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.577
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| LogP |
1.05
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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 |
3
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| Heavy Atom Count |
12
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| Complexity |
150
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1=CC=C(C=C1)C[C@@H](C(=O)O)O
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| InChi Key |
VOXXWSYKYCBWHO-QMMMGPOBSA-N
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| InChi Code |
InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
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| Chemical Name |
(2S)-2-hydroxy-3-phenylpropanoic 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 (~601.79 mM)
H2O : ~33.33 mg/mL (~200.58 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.04 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 (15.04 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 (15.04 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 | 6.0179 mL | 30.0897 mL | 60.1793 mL | |
| 5 mM | 1.2036 mL | 6.0179 mL | 12.0359 mL | |
| 10 mM | 0.6018 mL | 3.0090 mL | 6.0179 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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