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| Other Sizes |
| Targets |
2,4,6-Trihydroxybenzoic acid does not have a well-defined specific therapeutic target but functions as a metabolite and antioxidant compound. It is a polyhydroxybenzoic acid that exhibits strong metal-chelating properties, which contribute to its antioxidant activity. As a fungal metabolite, it plays a role in biological systems as a secondary metabolite. The compound is also a metabolite of naringin, indicating its involvement in flavonoid metabolism pathways. Its multiple hydroxyl groups enable it to scavenge free radicals and chelate metal ions, contributing to its biological activities.
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| ln Vitro |
2,4,6-Trihydroxybenzoic acid exhibits antioxidant properties through its ability to scavenge free radicals and chelate metal ions, thereby preventing oxidative damage to biomolecules. As a polyhydroxybenzoic acid, it demonstrates strong chelating power that contributes to its antioxidant activity. The compound has been reported to exhibit lipid-lowering and anticancer activities. It is a metabolite of naringin, a flavonoid found in grapefruit juice with established health benefits. In addition, as a fungal metabolite, it may play roles in microbial ecology and plant-microbe interactions.
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| ln Vivo |
In vivo activity data for 2,4,6-Trihydroxybenzoic acid are limited in the available literature. As a metabolite of naringin, it may contribute to the in vivo effects of its parent compound, which include antioxidant, lipid-lowering, and anticancer activities. The compound is absorbed and metabolized as part of the flavonoid metabolic pathway. Its strong chelating properties suggest it may influence metal ion homeostasis in vivo. However, specific in vivo efficacy studies for this compound alone are not well-documented in the public domain. The compound is generally used as a research chemical for antioxidant and chelation studies.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 2,4,6-Trihydroxybenzoic acid typically involve antioxidant activity measurements using DPPH (2,2-diphenyl-1-picrylhydrazyl) or ABTS (2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)) radical scavenging assays. The compound is dissolved in appropriate solvents (ethanol or DMSO) at varying concentrations and incubated with the radical solution. The decrease in absorbance is measured spectrophotometrically to determine the IC50 value for radical scavenging. Metal chelation assays can be performed using ferrozine or similar chromogenic reagents to assess the compound's ability to chelate Fe2+ or other metal ions.
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| Cell Assay |
In vitro cellular assays for 2,4,6-Trihydroxybenzoic acid typically involve treating cultured cell lines (such as cancer cells or normal cells) with the compound at concentrations ranging from 1 to 200 μM for 24-72 hours. Cellular viability is assessed using MTT, CCK-8, or resazurin reduction assays. Antioxidant activity in cells can be evaluated by measuring intracellular reactive oxygen species (ROS) levels using fluorescent probes such as DCFH-DA. The compound is dissolved in DMSO as a stock solution and diluted in cell culture medium, with appropriate vehicle controls. Cells are also assessed for apoptosis, cell cycle distribution, and other relevant biomarkers.
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| Animal Protocol |
In vivo animal studies for 2,4,6-Trihydroxybenzoic acid are not extensively documented. For general antioxidant and metabolic studies, the compound could be administered to mice or rats via oral gavage or intraperitoneal injection at doses typically ranging from 10 to 200 mg/kg. Blood and tissue samples are collected at various time points to assess pharmacokinetic parameters and metabolic fate. Efficacy studies might involve disease models such as chemically induced oxidative stress, inflammation, or cancer, with compound administration over days to weeks. Standard protocols include monitoring body weight, organ weights, and histopathological examination.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2,4,6-Trihydroxybenzoic acid are not extensively documented. The compound has a molecular weight of 170.12 g/mol and is highly soluble in water. It has a melting point of 210°C, boiling point of 373°C, and pKa of 1.62, indicating acidic properties. As a small polar molecule with multiple hydroxyl groups, it is expected to be readily absorbed and rapidly metabolized. The compound is generally stable under standard laboratory conditions. Detailed PK parameters such as half-life, bioavailability, and tissue distribution would require experimental determination and are not specified in the available literature.
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| Toxicity/Toxicokinetics |
Toxicity data for 2,4,6-Trihydroxybenzoic acid are not extensively reported in the public domain. As a naturally occurring fungal metabolite and a metabolite of the dietary flavonoid naringin, it is generally considered to have low toxicity. However, as with all chemical compounds, appropriate safety precautions should be taken when handling. The compound is intended for research use only and is not approved for human therapeutic applications. Standard toxicity assessments would include acute toxicity, genotoxicity, and repeated-dose toxicity studies. The compound's phenolic structure suggests potential for mild irritant effects at high concentrations.
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| References | |
| Additional Infomation |
2,4,6-Trihydroxybenzoic acid is a type of hydroxybenzoic acid.
2,4,6-Trihydroxybenzoic acid (CAS 83-30-7) is a trihydroxybenzoic acid that serves as a fungal metabolite and a metabolite of the flavonoid naringin. It is also known as phloroglucinic acid, phloroglucinolcarboxylic acid, and 2,4,6-trihydroxybenzenecarboxylic acid. The compound is a polyhydroxybenzoic acid with strong chelating power and applications in antioxidants, tanning agents, and polymer modifiers. It exhibits antioxidant, lipid-lowering, and anticancer activities. The compound is not approved for clinical use and is intended for research applications in antioxidant and chelation studies. It appears as a light beige crystalline powder and is very soluble in water. |
| Molecular Formula |
C7H6O5
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|---|---|
| Molecular Weight |
170.1195
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| Exact Mass |
170.021
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| CAS # |
83-30-7
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| PubChem CID |
66520
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
426.5±30.0 °C at 760 mmHg
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| Melting Point |
~210 °C (dec.)
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| Flash Point |
225.9±21.1 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.730
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| LogP |
1.8
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
12
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| Complexity |
169
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
IBHWREHFNDMRPR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)
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| Chemical Name |
2,4,6-trihydroxybenzoic 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 (~587.82 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.70 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 (14.70 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 (14.70 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 | 5.8782 mL | 29.3910 mL | 58.7820 mL | |
| 5 mM | 1.1756 mL | 5.8782 mL | 11.7564 mL | |
| 10 mM | 0.5878 mL | 2.9391 mL | 5.8782 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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