| Size | Price | |
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| Other Sizes |
| Targets |
Phenylglyoxylic acid sodium does not have specific therapeutic molecular targets. Its primary utility is as a biomarker of exposure to ethylbenzene and styrene (EB/S). As a metabolite, it reflects the body's metabolic processing of these environmental and occupational pollutants. It may also serve as a chemical intermediate in the synthesis of anticancer agents.
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| ln Vitro |
Phenylglyoxylic acid sodium (50-200 mg/kg, oral administration, 3 doses) exhibits anti-inflammatory activity in the rat formalin-induced paw swelling model. This suggests that the compound may possess pharmacological activities beyond its role as a biomarker. However, its primary in vitro application remains as an analytical standard for detecting EB/S exposure in biological samples.
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| ln Vivo |
In vivo, Phenylglyoxylic acid sodium has been shown to exhibit anti-inflammatory activity in rats at doses of 50-200 mg/kg administered orally in three doses in the formalin-induced paw swelling model. Its primary in vivo application, however, is as a biomarker metabolite detected in urine following exposure to ethylbenzene and styrene. The compound's presence and concentration in biological fluids are used to assess the level of exposure to these environmental chemicals.
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| Enzyme Assay |
Enzyme-based assays for Phenylglyoxylic acid sodium are not typically performed, as the compound is used as a biomarker rather than a drug. Analytical protocols involve the detection and quantification of the compound in biological samples using chromatographic methods such as HPLC or LC-MS/MS. These methods are employed to measure the concentration of phenylglyoxylic acid in urine as a marker of EB/S exposure.
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| Cell Assay |
Cell-based assays are not applicable for Phenylglyoxylic acid sodium, as its primary use is as a biomarker and analytical standard. The compound is not typically evaluated in cellular models for pharmacological activity. Its role in research is confined to analytical chemistry and toxicology studies.
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| Animal Protocol |
In vivo animal protocols for evaluating the anti-inflammatory activity of Phenylglyoxylic acid sodium involve the rat formalin-induced paw swelling model. Rats are administered the compound orally at doses of 50-200 mg/kg in three doses, and paw swelling is measured to assess anti-inflammatory efficacy. The compound is also used in toxicokinetic studies to evaluate EB/S metabolism.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Phenylglyoxylic acid sodium are not extensively reported. As a metabolite of ethylbenzene and styrene, it is excreted in urine and its concentration reflects recent exposure to these compounds. The compound has a molecular weight of 172.12 and is typically stored under standard laboratory conditions. It is soluble in aqueous solutions due to its sodium salt form.
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| Toxicity/Toxicokinetics |
Toxicological data for Phenylglyoxylic acid sodium are derived from its role as a metabolite of ethylbenzene and styrene, which are known industrial chemicals with established toxicity profiles. As a biomarker, its presence in urine indicates exposure to these compounds. The compound itself is not considered highly toxic and is used as a research reagent. Standard laboratory safety precautions apply.
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| References |
[1]. Capella KM, et al. Ethylbenzene and styrene exposure in the United States based on urinary mandelic acid and phenylglyoxylic acid: NHANES 2005-2006 and 2011-2012. Environ Res. 2019 Apr;171:101-110.
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| Additional Infomation |
Phenylglyoxylic acid sodium is a research-use-only compound. It is used as a biomarker of exposure to ethylbenzene and styrene in human subjects. It can also serve as a drug intermediate for the synthesis of antineoplastic compounds. The compound is available from various chemical suppliers as a high-purity reference standard for analytical and research applications.
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| Molecular Formula |
C8H5NAO3
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|---|---|
| Molecular Weight |
172.1133
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| Exact Mass |
172.014
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| CAS # |
43165-51-1
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| Related CAS # |
Phenylglyoxylic acid;611-73-4;Phenylglyoxylic acid-d5;1217089-53-6;Phenylglyoxylic acid-d5 sodium;2708283-39-8
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| PubChem CID |
23677814
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| Appearance |
White to off-white solid powder
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| Boiling Point |
258.6ºC at 760 mmHg
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| Flash Point |
124.4ºC
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
12
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| Complexity |
173
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Na+].O=C(C(=O)[O-])C1C([H])=C([H])C([H])=C([H])C=1[H]
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| InChi Key |
GGDFZLZSWSCHFU-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C8H6O3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5H,(H,10,11);/q;+1/p-1
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| Chemical Name |
sodium;2-oxo-2-phenylacetate
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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, 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 | 5.8102 mL | 29.0512 mL | 58.1024 mL | |
| 5 mM | 1.1620 mL | 5.8102 mL | 11.6205 mL | |
| 10 mM | 0.5810 mL | 2.9051 mL | 5.8102 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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