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| Targets |
Protocatechuic acid does not have a specific drug target but acts through multiple mechanisms. It is a potent antioxidant that scavenges free radicals and chelates metal ions. The compound modulates various cellular signaling pathways, including Nrf2/ARE, NF-κB, and MAPK pathways. It inhibits the activity of enzymes such as COX-2 and iNOS, contributing to its anti-inflammatory effects. PCA also inhibits the growth of various bacteria and fungi.
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| ln Vitro |
Protocatechuic acid prevents the aggregation of Aβ and αS, destabilizing their produced fibrils. Protocatechuic acid can reduce PC12 cell death caused by Aβ and αS-induced toxicity [3].
PCA demonstrates potent antioxidant activity by scavenging free radicals, reducing oxidative stress, and protecting cells from oxidative damage. It has anti-inflammatory effects by inhibiting the production of pro-inflammatory cytokines and mediators such as TNF-α, IL-6, and NO. PCA also exhibits antimicrobial activity against a range of pathogens. The compound has been shown to inhibit cancer cell proliferation and induce apoptosis in various cancer cell lines. |
| ln Vivo |
In the forced swim test, protocatechuic acid decreases stress-induced immobility periods without changing the mice's locomotor activity. Additionally, the administration of protocatechuic acid to ARS animals resulted in the reduction of increased serum corticosterone, lipid peroxidation, and the restoration of enzymatic antioxidants in the hippocampus and cerebral cortex [1]. Cadmium administration dramatically decreased BChE activity in rats receiving prostastigmine and a dosage of protocatechuic acid (10–20 mg/kg). MDA levels were significantly reduced in rats treated with either protocatechuic acid (10–20 mg/kg) or cadmium and prostastigmine [2].
PCA has been studied in various in vivo models. In rodents, administration of PCA has been shown to reduce oxidative stress, inflammation, and tissue damage in models of cardiovascular disease, diabetes, neurodegeneration, and cancer. The compound has also been shown to improve cognitive function in animal models of Alzheimer's disease. Its effects are dose-dependent and mediated through its antioxidant and anti-inflammatory properties. |
| Enzyme Assay |
The in vitro assay for PCA typically involves measuring its antioxidant activity using methods such as DPPH radical scavenging, ABTS radical scavenging, FRAP, or ORAC assays. The compound is tested at various concentrations, and the antioxidant capacity is expressed as IC50 or Trolox equivalents. Antimicrobial activity is assessed using standard broth dilution or disk diffusion methods. Anti-inflammatory activity is assessed by measuring the inhibition of pro-inflammatory mediators in cultured immune cells.
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| Cell Assay |
The in vitro cellular assay for PCA typically involves culturing cell lines (e.g., macrophages, endothelial cells, or cancer cells) and treating them with varying concentrations of the compound. Cellular responses such as reactive oxygen species (ROS) production, inflammatory cytokine secretion, cell viability, and apoptosis are measured. The compound's antioxidant, anti-inflammatory, and anticancer effects are assessed using appropriate assays.
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| Animal Protocol |
In vivo animal studies for PCA typically involve the administration of the compound to rodents via oral gavage or dietary supplementation. Parameters such as antioxidant status, inflammatory markers, and histopathology are assessed in blood and tissues. The compound's effects on various disease models (e.g., cardiovascular disease, diabetes, neurodegeneration, or cancer) are evaluated. The compound is generally well tolerated at moderate doses.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
Protocatechuic acid is a known human metabolite of 3,4-dihydroxyphenylacetic acid. PCA is a small molecule with a molecular weight of 154.12 g/mol and a molecular formula of C7H6O4. It is soluble in water and organic solvents. The compound is metabolized and excreted in urine, primarily as conjugates (glucuronides and sulfates). It has a short half-life and is rapidly cleared from the body. The compound is generally recognized as safe (GRAS) and is widely used in food and pharmaceutical research. |
| Toxicity/Toxicokinetics |
PCA is generally recognized as safe (GRAS) and is well tolerated at typical exposure levels. It has low acute toxicity and is not considered genotoxic or carcinogenic. High doses may cause gastrointestinal irritation. The compound is intended for research use and as a dietary supplement. Standard safety precautions should be followed when handling the compound in the laboratory.
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| References |
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| Additional Infomation |
3,4-Dihydroxybenzoic acid is a dihydroxybenzoic acid with hydroxyl groups located at the 3 and 4 positions. It can function as a human xenobiotic metabolite, a plant metabolite, an antitumor agent, an EC 1.1.1.25 (shikimate dehydrogenase) inhibitor, and an EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor. It belongs to the catecholamine class of compounds and is also a dihydroxybenzoic acid. Its function is related to benzoic acid. It is the conjugate acid of 3,4-dihydroxybenzoic acid esters.
3,4-Dihydroxybenzoic acid has been reported in Salvia miltiorrhiza, tea trees, and other organisms with relevant data. Protocatechuic acid is a metabolite found or produced in Saccharomyces cerevisiae. See also: Black cohosh (partial), pine (partial), Trifolium repens (partial) leaves… See more… PCA is a naturally occurring phenolic acid found in many plants, fruits, vegetables, and herbs. It is a major metabolite of flavonoids and other polyphenols. The compound is known for its antioxidant, anti-inflammatory, and antimicrobial properties. It has been studied for its potential health benefits, including cardiovascular protection, neuroprotection, and anticancer effects. PCA is widely used in research as an antioxidant standard and as a natural product for health-related studies. |
| Molecular Formula |
C7H6O4
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| Molecular Weight |
154.1201
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| Exact Mass |
154.026
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| CAS # |
99-50-3
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| PubChem CID |
72
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| Appearance |
White to off-white solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
410.7±35.0 °C at 760 mmHg
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| Melting Point |
197-200 °C (dec.)(lit.)
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| Flash Point |
216.3±22.4 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.671
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| LogP |
1.16
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
157
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C1=C(C([H])=C([H])C(C(=O)O[H])=C1[H])O[H]
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| InChi Key |
YQUVCSBJEUQKSH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
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| Chemical Name |
3,4-dihydroxybenzoic 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 (~648.85 mM)
H2O : ~10 mg/mL (~64.88 mM) |
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| 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: ≥ 2.5 mg/mL (16.22 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 16.67 mg/mL (108.16 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.
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