| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
The primary targets of 2,5-Dihydroxybenzaldehyde include bacterial pathogens such as Mycobacterium avium subsp. paratuberculosis and Staphylococcus aureus. It also targets COMT (catechol-O-methyltransferase) as an inhibitor. COMT is involved in catecholamine metabolism, and its inhibition has implications for Parkinson's disease treatment. These targets make it relevant for antimicrobial and neurological research.
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|---|---|
| ln Vitro |
In vitro, 2,5-Dihydroxybenzaldehyde suppresses the growth of Mycobacterium avium subsp. paratuberculosis. It shows antibacterial effect against Staphylococcus aureus strains with MIC50 of 500 mg/L. The compound has antioxidant activity and its derivatives inhibit COMT. These in vitro activities support its use in antimicrobial, antioxidant, and neurological research.
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| ln Vivo |
In vivo, 2,5-Dihydroxybenzaldehyde has potential therapeutic applications as an antimicrobial agent for treating infections caused by M. avium subsp. paratuberculosis and S. aureus. Its COMT inhibitory activity suggests potential for Parkinson's disease treatment. However, detailed in vivo efficacy data are limited. Further studies are needed to evaluate its therapeutic potential in animal models of infection and neurological disorders.
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| Enzyme Assay |
In vitro antimicrobial susceptibility testing for 2,5-Dihydroxybenzaldehyde is conducted using broth microdilution or agar diffusion methods against M. avium subsp. paratuberculosis and S. aureus. MIC values are determined at concentrations ranging from 0.1-1000 mg/L. COMT inhibition is assessed using enzyme activity assays with appropriate substrates. Antioxidant activity is assessed using DPPH or ABTS assays. All assays include appropriate controls and reference compounds.
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| Cell Assay |
In vitro cell-based assays for 2,5-Dihydroxybenzaldehyde are conducted using bacterial cultures for antimicrobial studies. Bacteria are treated with compound concentrations ranging from 0.1-1000 mg/L for 24-48 hours. Growth inhibition is measured by OD600 or colony counting. For COMT inhibition studies, neuronal cell lines may be used. Cells are treated with compound concentrations ranging from 0.1-1000 μM for 24-72 hours. Cell viability is assessed using MTT assays. Experiments include vehicle controls and positive controls.
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| Animal Protocol |
In vivo animal studies with 2,5-Dihydroxybenzaldehyde are limited, as the compound is primarily used as a research tool. Antimicrobial efficacy may be evaluated in animal models of M. avium or S. aureus infection. Parkinson's disease studies may be conducted in animal models using COMT inhibitors. The compound is administered via intraperitoneal or oral routes at doses ranging from 1-50 mg/kg. Each group consists of 6-10 animals with vehicle-treated controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2,5-Dihydroxybenzaldehyde have not been extensively characterized. As a small, polar molecule (MW 138.12), it is expected to have moderate oral bioavailability and reasonable tissue distribution. The compound is a naturally occurring antimicrobial and likely undergoes hepatic metabolism through conjugation, with elimination via renal excretion. Detailed PK parameters such as half-life, Cmax, and AUC require further investigation.
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| Toxicity/Toxicokinetics |
Toxicological data for 2,5-Dihydroxybenzaldehyde indicate that it is generally well-tolerated at concentrations used for research. As a naturally occurring compound, it is expected to have a reasonable safety profile. No significant toxicity has been reported. However, comprehensive toxicological studies have not been conducted. As with all research chemicals, appropriate safety precautions should be taken during handling.
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| References |
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| Additional Infomation |
2,5-Dihydroxybenzaldehyde is a dihydroxybenzaldehyde with hydroxyl groups at the 2 and 5 positions. It is a metabolite of Penicillium, as well as in mice and humans. Gentianaldehyde is found in or produced by Escherichia coli (strains K12 and MG1655). 2,5-Dihydroxybenzaldehyde has been reported to be present in Geotrichum langsnezoffii, Penicillium griseus, and other organisms with relevant data.
2,5-Dihydroxybenzaldehyde (Gentisaldehyde) is a naturally occurring antimicrobial agent that suppresses the growth of M. avium subsp. paratuberculosis and shows antibacterial activity against S. aureus with MIC50 of 500 mg/L. It has antioxidant activity and its derivatives inhibit COMT, an enzyme involved in catecholamine metabolism. It is used in research on antimicrobial agents, antioxidants, and Parkinson's disease. Not approved for clinical therapeutic use; intended for research purposes. |
| Molecular Formula |
C₇H₆O₃
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|---|---|
| Molecular Weight |
138.12
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| Exact Mass |
138.031
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| CAS # |
1194-98-5
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| PubChem CID |
70949
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| Appearance |
Light yellow to green yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
276.1±20.0 °C at 760 mmHg
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| Melting Point |
97-99 °C(lit.)
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| Flash Point |
135.1±18.3 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.674
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| LogP |
1.12
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
10
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| Complexity |
124
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
CLFRCXCBWIQVRN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H
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| Chemical Name |
2,5-dihydroxybenzaldehyde
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| Synonyms |
2,5Dihydroxybenzaldehyde; 2,5 Dihydroxybenzaldehyde
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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 (~362.00 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.10 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 (18.10 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 | 7.2401 mL | 36.2004 mL | 72.4008 mL | |
| 5 mM | 1.4480 mL | 7.2401 mL | 14.4802 mL | |
| 10 mM | 0.7240 mL | 3.6200 mL | 7.2401 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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