| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
3,5-Dihydroxybenzoic acid targets the hydroxycarboxylic acid receptor 1 (HCA1), also known as GPR81, where it acts as an agonist. By activating this receptor, it inhibits lipolysis in adipocytes. The compound is also a competitive inhibitor for tyrosine phenol-lyase (TPL), exhibiting an affinity with a Ki of 25.7 μM. These targets place it in the metabolic enzyme/protease and GPCR/G protein pathways.
|
|---|---|
| ln Vitro |
In vitro, 3,5-Dihydroxybenzoic acid functions as a selective agonist of HCA1/GPR81 with an EC50 of approximately 150 μM. It inhibits lipolysis in wild-type mouse adipocytes. It also acts as a competitive inhibitor of tyrosine phenol-lyase with a Ki of 25.7 μM. These activities suggest it plays a role in metabolic regulation and can be used as a tool to study these pathways.
|
| ln Vivo |
In vivo, 3,5-Dihydroxybenzoic acid is orally active. Its role as a food metabolite and biomarker suggests it is absorbed and distributed in the body. Its ability to activate HCA1 and inhibit lipolysis indicates it may have potential in managing metabolic conditions related to lipid metabolism. However, specific in vivo efficacy data are not extensively documented. The compound is used as an analytical standard in research and analytical applications.
|
| Enzyme Assay |
For in vitro receptor binding and enzyme assays, 3,5-Dihydroxybenzoic acid can be evaluated. For HCA1/GPR81 agonism, a cell-based assay using a fluorescent calcium indicator can measure receptor activation. For tyrosine phenol-lyase inhibition, the enzyme is incubated with its substrate (e.g., L-tyrosine) and varying concentrations of the inhibitor. The production of phenol or pyruvate is measured spectrophotometrically to determine the Ki.
|
| Cell Assay |
For in vitro cell-based assays, the activity of 3,5-Dihydroxybenzoic acid can be studied using adipocyte cell lines. Adipocytes are treated with the compound, and lipolysis is measured by quantifying the release of glycerol or free fatty acids into the medium. Its effects on cell signaling pathways, such as the HCA1-mediated inhibition of cAMP production, can be assessed. The compound's potential antioxidant activity can also be evaluated in cell models of oxidative stress.
|
| Animal Protocol |
For in vivo animal studies, 3,5-Dihydroxybenzoic acid is typically administered orally. Its effects on lipid metabolism can be studied in rodent models of obesity or metabolic syndrome. Parameters such as serum free fatty acid levels, triglyceride levels, and insulin sensitivity can be measured. Its pharmacokinetics and tissue distribution can also be studied to understand its role as a food metabolite.
|
| ADME/Pharmacokinetics |
3,5-Dihydroxybenzoic acid has a molecular weight of 154.12. It is orally active. Detailed pharmacokinetic parameters, such as half-life and bioavailability, are not extensively documented. As a small, water-soluble molecule, it is expected to be well absorbed. It is used as an analytical standard and is available in high purity for research applications.
|
| Toxicity/Toxicokinetics |
3,5-Dihydroxybenzoic acid is a naturally occurring compound and is considered non-toxic. It is a normal metabolite and is present in various foods. No significant toxicity has been reported. The compound is safe to handle with standard laboratory precautions.
|
| Additional Infomation |
3,5-Dihydroxybenzoic acid is a dihydroxybenzoic acid with hydroxyl groups located at positions 3 and 5. It is a metabolite. It belongs to the dihydroxybenzoic acid class of compounds and is also a member of the resorcinol class. Its function is related to benzoic acid. 3,5-Dihydroxybenzoic acid has been reported to be detected in Rubus niveus, Viburnum cylindricum, and other organisms with relevant data.
3,5-Dihydroxybenzoic acid is a research compound with no clinical trial or regulatory approval status as a therapeutic agent. It is a naturally occurring metabolite and a potential biomarker for food intake. It is used as an analytical standard in food chemistry and metabolomics research. The compound is also studied for its potential therapeutic applications in treating conditions related to inflammation and oxidative damage. |
| Molecular Formula |
C7H6O4
|
|---|---|
| Molecular Weight |
154.1201
|
| Exact Mass |
154.026
|
| CAS # |
99-10-5
|
| Related CAS # |
145639-71-0
|
| PubChem CID |
7424
|
| Appearance |
White to off-white solid powder
|
| Density |
1.6±0.1 g/cm3
|
| Boiling Point |
411.5±15.0 °C at 760 mmHg
|
| Melting Point |
236-238 °C (dec.)(lit.)
|
| Flash Point |
216.8±16.9 °C
|
| Vapour Pressure |
0.0±1.0 mmHg at 25°C
|
| Index of Refraction |
1.671
|
| LogP |
1.12
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
11
|
| Complexity |
147
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
UYEMGAFJOZZIFP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
|
| Chemical Name |
3,5-dihydroxybenzoic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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 (e.g. under nitrogen), 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)
|
| Solubility (In Vitro) |
H2O : ~60 mg/mL (~389.31 mM)
DMSO : ~50 mg/mL (~324.42 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.22 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 (16.22 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: 50 mg/mL (324.42 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.4885 mL | 32.4423 mL | 64.8845 mL | |
| 5 mM | 1.2977 mL | 6.4885 mL | 12.9769 mL | |
| 10 mM | 0.6488 mL | 3.2442 mL | 6.4885 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
