| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
5-Phenylvaleric acid does not have a specific pharmacological target but is an endogenous metabolite. It is a product of microbial metabolism and can serve as a biomarker. It has been found to inhibit the activity of certain enzymes, such as malonic acid and p-hydroxyphenylpyruvic acid oxidase. It may also serve as a scaffold for HDAC inhibitors. Its role is primarily as a metabolic byproduct and a potential marker for dietary intake and gut microbial activity.
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| ln Vitro |
In vitro, 5-Phenylvaleric acid has been shown to have anti-inflammatory, antimicrobial, and anticancer effects. It can be enzymatically metabolized into protocatechuic acid by microbial metabolism. It delivers C5 chain-dependent bioactivity that shorter or longer analogs cannot match and can be used as an HDAC inhibitor scaffold. Its activity as a metabolite makes it a subject of interest in studies of gut microbiota and host metabolism.
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| ln Vivo |
In vivo, 5-Phenylvaleric acid is a normal metabolite found in human body fluids. It is produced by the gut microbiota and can be detected in urine and plasma. Its levels can serve as a biomarker for the intake of flavan-3-ols, which are compounds found in foods like tea, chocolate, and fruits. No specific pharmacological in vivo studies have been reported for this compound.
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| Enzyme Assay |
For metabolite quantification, 5-Phenylvaleric acid is typically measured in biological samples using analytical methods such as GC-MS or LC-MS. Samples are extracted with organic solvents, and the compound is separated on a suitable column and detected by mass spectrometry. Quantification is performed using external calibration curves or isotope-labeled internal standards. For enzyme assays, it can be used as a substrate to study the activity of specific enzymes like oxidases.
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| Cell Assay |
For cellular studies, 5-Phenylvaleric acid is not typically used as a pharmacological agent. However, in metabolomics studies, cells may be treated with compounds that modulate gut microbial metabolism, and the production of 5-phenylvaleric acid is measured. In studies of inflammation or cancer, cells may be exposed to the compound to assess its effects on cell viability or inflammatory markers.
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| Animal Protocol |
For in vivo studies in animal models, 5-phenylvaleric acid is typically not administered as a test compound. However, in metabolomics studies, animals may be fed with flavan-3-ol-rich diets, and the levels of 5-phenylvaleric acid in blood and urine are measured to assess metabolic status and gut microbial activity. No specific dosing or administration protocols are reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 5-Phenylvaleric acid are not applicable as it 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 metabolism. Its levels in blood and urine reflect its production and clearance rates. It is excreted in urine. No specific PK parameters are reported.
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| Toxicity/Toxicokinetics |
5-Phenylvaleric acid is a normal metabolite and is not considered toxic at physiological concentrations. No acute toxicity, organ-specific toxicity, or mutagenicity data have been reported. As a research chemical, it should be handled according to standard laboratory safety protocols, including the use of personal protective equipment.
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| Additional Infomation |
5-Phenylacetic acid is a monocarboxylic acid, a compound in which valeric acid is substituted at the δ position with a phenyl group. It is a monocarboxylic acid belonging to the benzene family. Functionally, it is related to valeric acid.
5-Phenylvaleric acid (CAS 2270-20-4) is a medium-chain monocarboxylic acid and a major metabolite produced by the gut microbiota during flavan-3-ol metabolism. It has the molecular formula C₁₁H₁₄O₂ and a molecular weight of 178.23. It can serve as a biomarker for flavan-3-ol intake and exhibits anti-inflammatory, antimicrobial, and anticancer effects. It is strictly for research use. |
| Molecular Formula |
C11H14O2
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|---|---|
| Molecular Weight |
178.2277
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| Exact Mass |
178.099
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| CAS # |
2270-20-4
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| PubChem CID |
16757
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| Appearance |
Off-white to light brown solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
308.5±0.0 °C at 760 mmHg
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| Melting Point |
58-60 °C(lit.)
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| Flash Point |
227.2±17.2 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.528
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| LogP |
2.7
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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 |
5
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| Heavy Atom Count |
13
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| Complexity |
148
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
BYHDDXPKOZIZRV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
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| Chemical Name |
5-phenylpentanoic 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 (~561.07 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.03 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 (14.03 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 (14.03 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 | 5.6107 mL | 28.0536 mL | 56.1073 mL | |
| 5 mM | 1.1221 mL | 5.6107 mL | 11.2215 mL | |
| 10 mM | 0.5611 mL | 2.8054 mL | 5.6107 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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