| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Not well characterized; potential targets include inflammatory pathways (COX, LOX), oxidative stress pathways, and microbial targets.
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|---|---|
| ln Vitro |
In vitro, Isoscopoletin exhibits anti-inflammatory activity by inhibiting COX and LOX enzymes, reducing prostaglandin and leukotriene synthesis. It shows antioxidant activity by scavenging free radicals. It also exhibits antimicrobial and anticancer activities against various cell lines. Quantitative IC50 values are not detailed in publicly available sources.
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| ln Vivo |
In vivo, Isoscopoletin has been studied for its anti-inflammatory and antioxidant effects in animal models. It may have potential in treating inflammatory diseases and oxidative stress-related conditions. Detailed dose-response and pharmacokinetic data are limited.
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| Enzyme Assay |
No specific cell-free assay protocol is detailed for Isoscopoletin. For coumarins, typical cell-free assays include enzyme inhibition assays (COX, LOX, MAO), antioxidant assays (DPPH, ABTS), and antimicrobial susceptibility tests.
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| Cell Assay |
Cellular activity is assessed in inflammatory cells (e.g., macrophages) or cancer cells. Cells are treated with Isoscopoletin, and endpoints include cytokine production (ELISA), reactive oxygen species measurement (fluorescent probes), cell viability (MTT), and apoptosis detection.
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| Animal Protocol |
In vivo efficacy is evaluated in rodent models of inflammation or oxidative stress. Isoscopoletin is administered via oral gavage or intraperitoneal injection. Endpoints include inflammatory biomarker analysis, antioxidant enzyme levels, and histopathology.
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| ADME/Pharmacokinetics |
Molecular weight: 192.17; molecular formula: C10H8O4. Melting point: 201-203°C. Solubility: soluble in ethanol, DMSO; sparingly soluble in water. Storage: typical for coumarins (desiccated, protected from light, -20°C).
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| Toxicity/Toxicokinetics |
No detailed toxicity data is publicly available. As a natural coumarin, it is generally considered to have low toxicity, but standard toxicological studies would be required for drug development.
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| References |
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| Additional Infomation |
Isochytosine is a hydroxycoumarin, a compound formed by replacing the 7-hydroxyl group of aescin with a methoxy group. It is the main primary metabolite of scopolamine and plays a metabolic role in plants. It is a hydroxycoumarin and aromatic ether, functionally related to aescin. Isochytosine has been reported to exist in Saussurea macrota, Artemisia lancea, and other organisms with relevant data.
Isoscopoletin is a research-grade compound, not approved for therapeutic use. It is primarily used for pharmacological research in inflammation, oxidative stress, and antimicrobial studies. No clinical trials have been reported. |
| Molecular Formula |
C10H8O4
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|---|---|
| Molecular Weight |
192.17
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| Exact Mass |
192.042
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| Elemental Analysis |
C, 62.50; H, 4.20; O, 33.30
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| CAS # |
776-86-3
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| PubChem CID |
69894
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| Appearance |
Off-white to brown solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
413.5±45.0 °C at 760 mmHg
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| Melting Point |
206-208ºC
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| Flash Point |
172.4±22.2 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.609
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| LogP |
0.83
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
14
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| Complexity |
261
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C(C([H])=C([H])C2=C([H])C(=C(C([H])=C12)OC([H])([H])[H])O[H])=O
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| InChi Key |
SYTYLPHCLSSCOJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
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| Chemical Name |
6-hydroxy-7-methoxy-2H-chromen-2-one
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| Synonyms |
Isoscopoletin; Esculetin 7-methyl ether; 7-methoxy-6-Hydroxycoumarin; 7-Methoxyesculetin; 7 Methoxyesculetin; 7Methoxyesculetin;
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~520.37 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.01 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 (13.01 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 (13.01 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 | 5.2037 mL | 26.0186 mL | 52.0373 mL | |
| 5 mM | 1.0407 mL | 5.2037 mL | 10.4075 mL | |
| 10 mM | 0.5204 mL | 2.6019 mL | 5.2037 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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