| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| Other Sizes |
| Targets |
Human carboxylesterase 2 (hCES2A); aromatase. Isolicoflavonol is a potent inhibitor of hCES2A with Ki values below 1.0 μM. hCES2A is a key enzyme involved in the metabolism of irinotecan, and its inhibition can ameliorate irinotecan-induced intestinal toxicity. The compound also acts as an aromatase inhibitor, blocking the conversion of androstenedione to estrone. Its antioxidant, anti-inflammatory, and anticancer properties suggest interactions with multiple cellular pathways.
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|---|---|
| ln Vitro |
Isolicoflavonol potently inhibits hCES2A-mediated fluorescein diacetate hydrolysis in a reversible and mixed inhibition manner, with Ki values below 1.0 μM. hCES2A is a key target to ameliorate irinotecan-induced intestinal toxicity. The compound also acts as an aromatase inhibitor and exhibits antioxidant, anti-inflammatory, and anticancer properties. It is found in licorice and other organisms.
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| ln Vivo |
In vivo studies of isolicoflavonol are limited. As an hCES2A inhibitor, it has potential for evaluation in animal models of irinotecan-induced intestinal toxicity to assess its ability to ameliorate diarrhea. Its aromatase inhibitory activity suggests potential applications in hormone-related conditions. Its antioxidant, anti-inflammatory, and anticancer properties suggest potential benefits in various disease models. Further in vivo studies are needed to characterize its pharmacokinetic and pharmacodynamic properties.
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| Enzyme Assay |
Non-cell-based assays for isolicoflavonol include hCES2A inhibition assays using purified enzyme. The enzyme is incubated with fluorescein diacetate substrate in the presence of various concentrations of the compound, and hydrolysis is measured by fluorescence detection. Ki values are determined from the dose-response curve. Aromatase inhibition assays are performed using purified aromatase and radiolabeled androstenedione. Standard analytical methods including HPLC, NMR, and mass spectrometry are used for compound characterization.
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| Cell Assay |
Cell-based assays for isolicoflavonol use various cell lines to assess hCES2A inhibition and its effects on drug metabolism. Cells expressing hCES2A are treated with the compound, and its effects on irinotecan metabolism or fluorescein diacetate hydrolysis are measured. For aromatase inhibition, cells expressing aromatase are used. Cytotoxicity is assessed using standard cell viability assays. Antioxidant and anti-inflammatory activities can be assessed in macrophage cell lines.
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| Animal Protocol |
In vivo studies of isolicoflavonol are limited. Based on its biological activities, potential animal models include: mouse models of irinotecan-induced intestinal toxicity for evaluating hCES2A inhibition; tumor models for anticancer evaluation; and inflammation models for anti-inflammatory evaluation. Standard protocols for these models involve administration of the compound followed by measurement of relevant endpoints.
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| ADME/Pharmacokinetics |
Isolicoflavonol has a molecular formula of C₂₀H₁₈O₆ and a molecular weight of approximately 354.36 g/mol. It is a flavonoid found in licorice and other organisms. The compound is a potent hCES2A inhibitor with Ki values below 1.0 μM and also acts as an aromatase inhibitor. It should be stored under recommended conditions. It is intended for research use only.
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| Toxicity/Toxicokinetics |
Specific toxicity data for isolicoflavonol are limited. As a natural flavonoid from licorice, it is generally considered to have low toxicity. The compound exhibits antioxidant, anti-inflammatory, and anticancer properties, suggesting potential health benefits rather than toxicity. Standard laboratory safety practices should be followed when handling this compound.
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| References | |
| Additional Infomation |
Isolicoflavonol are a type of flavonoid compound. They have been reported to be found in licorice, coarse licorice, and other organisms with relevant data.
Isolicoflavonol is a flavonoid found in licorice (Glycyrrhiza species) and other organisms. It is a potent inhibitor of human carboxylesterase 2 (hCES2A) with Ki values below 1.0 μM. hCES2A is a key target to ameliorate irinotecan-induced intestinal toxicity, which causes severe diarrhea in 50%-80% of patients. The compound also acts as an aromatase inhibitor and exhibits antioxidant, anti-inflammatory, and anticancer properties. It is for research use only. |
| Molecular Formula |
C20H18O6
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|---|---|
| Molecular Weight |
354.35
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| Exact Mass |
354.11
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| CAS # |
94805-83-1
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| PubChem CID |
5318585
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| Appearance |
Light yellow to green yellow solid
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
601.2±55.0 °C at 760 mmHg
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| Melting Point |
119 °C
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| Flash Point |
217.4±25.0 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.700
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| LogP |
4.15
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
26
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| Complexity |
605
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C2C(=CC(=CC=2O)O)OC(C2C=C(C/C=C(\C)/C)C(O)=CC=2)=C1O
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| InChi Key |
PGCKDCPTJAQQSQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3
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| Chemical Name |
3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
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| Synonyms |
Isolicoflavonol
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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 (282.21 mM)
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8221 mL | 14.1103 mL | 28.2207 mL | |
| 5 mM | 0.5644 mL | 2.8221 mL | 5.6441 mL | |
| 10 mM | 0.2822 mL | 1.4110 mL | 2.8221 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.
Products are for research use only; We do not sell to patients
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