| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
1,2,4-Trihydroxybenzene does not have a specific biological target or receptor. As a polyphenolic compound, it may interact with various cellular components through its redox and chelating properties. The compound increases intracellular Ca2+ concentration in rat thymic lymphocytes. It is used as a metabolite of benzene and is present in roasted coffee beans. Its lack of specific receptor targeting makes it unsuitable for drug development applications.
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| ln Vitro |
In vitro, 1,2,4-Trihydroxybenzene increases intracellular Ca2+ concentration in rat thymic lymphocytes. As a polyphenolic compound, it exhibits redox and chelating properties. The compound is used as a metabolite of benzene in studies of benzene toxicity and metabolism. Standard in vitro assays include measurement of intracellular calcium using fluorescent indicators, assessment of oxidative stress markers, and evaluation of its effects on cellular metabolism. The compound's primary in vitro applications are in biochemical and environmental research.
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| ln Vivo |
In vivo, 1,2,4-Trihydroxybenzene is a by-product of coffee bean roasting and is present in roasted coffee beans. It is a common intermediate in the biodegradation of many aromatic compounds. The compound is used as a metabolite of benzene in studies of benzene metabolism and toxicity. It does not have therapeutic applications. Its primary in vivo applications are in research studies involving metabolism, oxidative stress, and biodegradation processes.
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| Enzyme Assay |
For non-cell-based receptor binding assays, 1,2,4-Trihydroxybenzene is not typically used for receptor binding studies. Its primary applications are in biochemical and environmental research. The compound can be characterized using spectrophotometric methods to measure its redox properties and chelating activity. Its ability to increase intracellular Ca2+ concentration can be assessed in cell-free systems using calcium-sensitive dyes and appropriate buffers. However, the compound does not have specific receptor targets.
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| Cell Assay |
For in vitro cellular assays, cells such as rat thymic lymphocytes are cultured in appropriate media. Cells are loaded with calcium-sensitive fluorescent dyes and treated with 1,2,4-Trihydroxybenzene. Intracellular calcium concentration is measured using a fluorescence plate reader or imaging system. For oxidative stress assays, cells are treated with the compound and oxidative stress markers (e.g., ROS, lipid peroxidation) are measured. For metabolic studies, cells are treated with the compound and its effects on cellular metabolism are assessed.
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| Animal Protocol |
For in vivo animal studies, 1,2,4-Trihydroxybenzene is not typically used for therapeutic or pharmacological studies. It may be used in toxicology studies to assess the effects of benzene metabolites. The compound can be administered to animals and its effects on various organ systems are evaluated. However, comprehensive in vivo studies are limited. The compound is primarily used in research settings rather than for therapeutic applications.
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| ADME/Pharmacokinetics |
1,2,4-Trihydroxybenzene has a molecular weight of 126.111 g/mol and a molecular formula of C6H6O3. It appears as a white to gray to brown powder to crystal with a melting point of 138.0 to 145.0°C. The compound is available in high purity (≥98.0%). It is soluble in appropriate solvents for research use. The compound should be stored according to the manufacturer's recommendations. It is an important raw material and intermediate in organic synthesis.
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| Toxicity/Toxicokinetics |
Toxicity Summary
The Cosmetic Ingredient Safety Expert Panel concluded that 1,2,4-trihydroxybenzene is safe for use as a hair dye ingredient at the current methods of use and concentrations described in this safety assessment. It is also safe for use in cosmetics under certain conditions. The toxicity profile of 1,2,4-Trihydroxybenzene has not been extensively reported. As a polyphenolic compound, it may have antioxidant properties at low concentrations but could be pro-oxidant at high concentrations. The compound is a metabolite of benzene, which is a known carcinogen, but 1,2,4-Trihydroxybenzene itself is not classified as a carcinogen. The compound is for research use only and not for human consumption. Standard safety precautions should be observed when handling the compound. |
| References | |
| Additional Infomation |
Benzene-1,2,4-triol is a phenylglycerol with hydroxyl groups at positions 1, 2, and 4. It is a mouse metabolite. 1,2,4-Benzeneglycerol has been reported in Dothiorella vidmadera, Begonia nantoensis, and other organisms with relevant data.
1,2,4-Trihydroxybenzene (also known as hydroxyhydroquinone or THB) is an aromatic organic compound featuring three hydroxyl groups arranged on a benzene ring. It is a by-product of coffee bean roasting and is a common intermediate in the biodegradation of many aromatic compounds. The compound increases intracellular Ca2+ concentration in rat thymic lymphocytes. It is used as an important raw material and intermediate in organic synthesis, pharmaceuticals, agrochemicals, and dyestuff. It is available for research purposes only. |
| Molecular Formula |
C6H6O3
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|---|---|
| Molecular Weight |
126.11
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| Exact Mass |
126.031
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| CAS # |
533-73-3
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| PubChem CID |
10787
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| Appearance |
Brown to gray solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
334.5±12.0 °C at 760 mmHg
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| Melting Point |
140 °C (subl.)(lit.)
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| Flash Point |
176.9±14.2 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.677
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| LogP |
0.06
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
9
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| Complexity |
94.3
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(C=C1O)O)O
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| InChi Key |
GGNQRNBDZQJCCN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
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| Chemical Name |
benzene-1,2,4-triol
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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: 50 mg/mL (396.48 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (19.82 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (19.82 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.9296 mL | 39.6479 mL | 79.2959 mL | |
| 5 mM | 1.5859 mL | 7.9296 mL | 15.8592 mL | |
| 10 mM | 0.7930 mL | 3.9648 mL | 7.9296 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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