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2,3,4-Trihydroxybenzoic acid

Cat No.:V29931 Purity: ≥98%
2,3,4-Trihydroxybenzoic acid Internal reference for high performance liquid chromatography separation of phenolic acids.
2,3,4-Trihydroxybenzoic acid
2,3,4-Trihydroxybenzoic acid Chemical Structure CAS No.: 610-02-6
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
500mg
Other Sizes
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Product Description
2,3,4-Trihydroxybenzoic acid Internal reference for high performance liquid chromatography separation of phenolic acids.
2,3,4-Trihydroxybenzoic acid (CAS#: 610-02-6) is a type of hydroxybenzoic acid found in weeping birch, variegated mignonette, and common bean. It is a phenolic component of Lycopodiella cernua with antioxidant activity. The compound is used as a reagent during catalytic spectrophotometric determination of vanadium in natural and sea waters and is used in pharmaceuticals. Its molecular formula is C7H6O5 with a molecular weight of 170.12 g/mol.
Biological Activity I Assay Protocols (From Reference)
Targets
2,3,4-Trihydroxybenzoic acid targets oxidative stress pathways as an antioxidant. As a hydroxybenzoic acid, it may interact with various biological targets involved in oxidation and inflammation. The compound is used as an internal standard in separation of phenolic acids by HPLC. Its mechanism involves scavenging free radicals and reducing oxidative damage. The compound is found in various plants and has potential applications in pharmaceutical research.
ln Vitro
In vitro, 2,3,4-Trihydroxybenzoic acid has antioxidant activity. It is a phenolic component found in plants. The compound is used as a reagent for the catalytic spectrophotometric determination of vanadium in natural and sea waters. It is used in pharmaceuticals and as an internal standard in HPLC separation of phenolic acids. Its antioxidant activity has been characterized in various in vitro assays.
ln Vivo
In vivo, 2,3,4-Trihydroxybenzoic acid has been studied for its antioxidant properties. As a natural phenolic compound, it may have potential for preventing oxidative stress-related diseases. The compound is found in various plants including weeping birch, variegated mignonette, and common bean. Further in vivo studies are needed to fully characterize its therapeutic potential.
Enzyme Assay
In vitro antioxidant assays for 2,3,4-Trihydroxybenzoic acid involve measuring free radical scavenging activity using DPPH, ABTS, or other methods. The compound is added at varying concentrations, and IC50 values are calculated from dose-response curves. For analytical applications, the compound is used as a reagent for vanadium determination. HPLC methods use the compound as an internal standard for phenolic acid separation. Assays are performed in appropriate buffer systems with positive controls such as known antioxidants.
Cell Assay
In vitro cell-based assays for 2,3,4-Trihydroxybenzoic acid are conducted in various cell lines to assess antioxidant activity. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with the compound at varying concentrations. Oxidative stress is induced using agents such as H2O2, and protection is assessed by measuring cell viability and ROS levels. Cell viability is assessed by standard assays. Experiments are performed in triplicate with appropriate positive and negative controls.
Animal Protocol
2,3,4-Trihydroxybenzoic acid in vivo studies are conducted in animal models of oxidative stress. Animals are treated with the compound via oral administration or injection. Oxidative stress markers in blood and tissues are measured. Antioxidant enzyme activities are assessed. Animals are monitored for clinical signs. Tissues and blood samples are collected for histopathological and biochemical analysis at study endpoints. Studies are conducted in accordance with institutional animal care guidelines.
ADME/Pharmacokinetics
2,3,4-Trihydroxybenzoic acid (MW 170.12 g/mol, C7H6O5) is a hydroxybenzoic acid. It is also known as pyrogallic acid-4-carboxylic acid and pyrogallolcarboxylic acid. The compound is soluble in organic solvents. It is stable under recommended storage conditions. 2,3,4-Trihydroxybenzoic acid has a purity of ≥97%. Pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution would be determined in species-specific studies.
Toxicity/Toxicokinetics
2,3,4-Trihydroxybenzoic acid is generally well-tolerated in preclinical studies. The compound is a natural phenolic acid found in various plants. Its antioxidant activity has been demonstrated with acceptable safety profiles. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation would be required for therapeutic development.
Additional Infomation
2,3,4-Trihydroxybenzoic acid is a type of hydroxybenzoic acid. It has been reported to be found in weeping birch, variegated mignonette, and common bean, and relevant data are available for reference.
2,3,4-Trihydroxybenzoic acid is a hydroxybenzoic acid found in weeping birch, variegated mignonette, and common bean. It has antioxidant activity as a phenolic component of Lycopodiella cernua. The compound is used as a reagent for vanadium determination and in pharmaceuticals. It is also used as an internal standard in HPLC separation of phenolic acids. All applications are limited to non-human research use.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C7H6O5
Molecular Weight
170.1195
Exact Mass
170.021
CAS #
610-02-6
PubChem CID
11874
Appearance
White to off-white solid powder
Density
1.7±0.1 g/cm3
Boiling Point
437.5±45.0 °C at 760 mmHg
Melting Point
~205 °C (dec.)(lit.)
Flash Point
232.5±25.2 °C
Vapour Pressure
0.0±1.1 mmHg at 25°C
Index of Refraction
1.730
LogP
1.47
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Heavy Atom Count
12
Complexity
181
Defined Atom Stereocenter Count
0
InChi Key
BRRSNXCXLSVPFC-UHFFFAOYSA-N
InChi Code
InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)
Chemical Name
2,3,4-trihydroxybenzoic 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 Data
Solubility (In Vitro)
DMSO : ~50 mg/mL (~293.91 mM)
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.

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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.
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 corn oil and mix evenly.


 (Please use freshly prepared in vivo formulations for optimal results.)
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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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