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| Targets |
5,7-Dihydroxycoumarin targets bacterial pathogens, exhibiting antibacterial activity. Its derivatives also target oxidative stress pathways, exhibiting antioxidant activity by scavenging free radicals. The compound's mechanism involves antibacterial effects against susceptible bacteria and antioxidant effects through free radical scavenging.
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| ln Vitro |
5,7-Dihydroxycoumarin demonstrates in vitro antibacterial activity. Some derivatives have antioxidant properties. 5,7-Dihydroxycoumarin derivatives at 100 μM have high antioxidant activity in the DPPH and xanthine/xanthine oxidase systems. The compound exhibits antibacterial properties with MIC values in the range of 1000 mg/mL to >1000 mg/mL.
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| ln Vivo |
In vivo activity of 5,7-dihydroxycoumarin has not been extensively documented. Its antibacterial and antioxidant activities suggest potential for in vivo applications in treating bacterial infections and oxidative stress-related conditions. Further in vivo studies are needed to evaluate its efficacy and safety.
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| Enzyme Assay |
In vitro enzyme assays for 5,7-dihydroxycoumarin involve measuring its antioxidant activity using DPPH radical scavenging assays or xanthine/xanthine oxidase systems. Antibacterial activity is assessed using standard microbial growth inhibition assays against bacterial strains.
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| Cell Assay |
In vitro cellular assays for 5,7-dihydroxycoumarin involve culturing bacterial cells in the presence of varying concentrations of the compound. Antibacterial activity is assessed by measuring inhibition of growth using optical density measurements or colony counting. Antioxidant activity can be evaluated by measuring ROS levels in cells.
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| Animal Protocol |
In vivo animal experiments for 5,7-dihydroxycoumarin are not extensively documented. If used in animal models, typical protocols would involve administering the compound to models of bacterial infection or oxidative stress and evaluating efficacy by measuring bacterial load or oxidative damage biomarkers.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 5,7-dihydroxycoumarin are limited. The compound has a molecular weight of 178.14 and a molecular formula of C9H6O4. It is a coumarin compound isolated from Macaranga triloba. Its absorption, distribution, metabolism, and excretion properties have not been fully characterized.
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| Toxicity/Toxicokinetics |
Toxicological data for 5,7-dihydroxycoumarin are limited. As a natural product-derived compound, it is generally considered to have low toxicity, but comprehensive toxicological studies have not been reported. The compound is intended for research use only. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
5,7-Dihydroxycoumarin has been reported to have been found in Haplophyllum dauricum, Fagopyrum megacarpum, and other organisms with available data.
5,7-Dihydroxycoumarin (5,7-dihydroxychromen-2-one) (CAS#: 2732-18-5) has the molecular formula C9H6O4 and a molecular weight of 178.14. It is a coumarin isolated from Macaranga triloba with antibacterial activities. Some derivatives have antioxidant properties. The compound is intended for research use only. |
| Molecular Formula |
C9H6O4
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|---|---|
| Molecular Weight |
178.14
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| Exact Mass |
178.026
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| CAS # |
2732-18-5
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| PubChem CID |
5324654
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| Appearance |
Off-white to yellow solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
506.4±19.0 °C at 760 mmHg
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| Flash Point |
216.9±15.0 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.689
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| LogP |
0.86
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
13
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| Complexity |
248
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
KIQQFVJHWNCGAU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11H
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| Chemical Name |
5,7-dihydroxychromen-2-one
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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 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)
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| Solubility (In Vitro) |
DMSO : 25 mg/mL (140.34 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.03 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 (14.03 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 | 5.6136 mL | 28.0678 mL | 56.1356 mL | |
| 5 mM | 1.1227 mL | 5.6136 mL | 11.2271 mL | |
| 10 mM | 0.5614 mL | 2.8068 mL | 5.6136 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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