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| Targets |
Polygalaxanthone XI does not have a well-characterized molecular target. As a xanthone glycoside from Polygala tenuifolia, it is thought to exert its effects through multiple pathways. It is used as an expectorant and tranquilizing agent in traditional medicine. Its potential mechanisms may involve modulation of neurotransmitter systems, anti-inflammatory effects, or antioxidant activity, which are common properties of xanthones. Further research is needed to identify its specific molecular targets.
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| ln Vitro |
In vitro activity data for Polygalaxanthone XI is limited in publicly available literature. As a xanthone glycoside, it may exhibit antioxidant, anti-inflammatory, or neuroprotective activities in cell-based assays. However, specific quantitative data, such as IC50 values for these effects, are not detailed. Its use as an expectorant and tranquilizing agent suggests potential effects on respiratory and central nervous system cells.
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| ln Vivo |
In vivo, Polygalaxanthone XI is a natural product from Polygala tenuifolia used in traditional Chinese medicine. It is used for its expectorant and tranquilizing properties. Radix Polygalae is commonly used to prevent dementia. These traditional uses suggest that Polygalaxanthone XI may have in vivo effects on the respiratory and central nervous systems. However, detailed in vivo efficacy studies, including pharmacokinetic and pharmacodynamic parameters, have not been reported.
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| Enzyme Assay |
For cell-free assays, the antioxidant activity of Polygalaxanthone XI can be measured using DPPH or ABTS radical scavenging assays. Its potential anti-inflammatory activity can be assessed by measuring its ability to inhibit the activity of inflammatory enzymes, such as COX-2 or LOX, in cell lysates or purified enzyme preparations. Its interaction with neurotransmitter receptors could be studied using radioligand binding assays.
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| Cell Assay |
For in vitro cellular assays, the neuroprotective or anti-inflammatory effects of Polygalaxanthone XI can be assessed in neuronal cell lines or immune cells. Neuronal cells can be treated with the compound and exposed to neurotoxic insults (e.g., glutamate, oxidative stress), and cell viability is measured using MTT or similar assays. Inflammatory cells (e.g., macrophages) can be treated with the compound and stimulated with LPS, and cytokine production is measured by ELISA.
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| Animal Protocol |
For in vivo studies, Polygalaxanthone XI could be administered orally in animal models of dementia, anxiety, or respiratory diseases. Its tranquilizing effects could be assessed using behavioral tests such as the elevated plus maze or open field test. Its expectorant effects could be assessed by measuring mucus secretion or airway resistance. Its neuroprotective effects could be assessed in models of cognitive impairment.
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| ADME/Pharmacokinetics |
Polygalaxanthone XI (CAS 857859-82-6) has a molecular formula of C25H28O15 and a molecular weight of 568.48 g/mol. Its chemical name is 2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-one. Appearance: Powder. Solubility: Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. Storage: Desiccate at -20°C. Purity: ≥98%.
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| Toxicity/Toxicokinetics |
No detailed toxicity data is publicly available. As a natural xanthone glycoside from Polygala tenuifolia, a plant with a long history of medicinal use, it is generally considered to have low toxicity, but standard toxicological studies would be required for drug development. In vitro cytotoxicity assays in various cell lines are typically performed alongside efficacy studies to confirm that observed effects are not due to a general reduction in cell viability.
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| References | |
| Additional Infomation |
It has been reported that Polygalaxanthone XI is present in Polygalaxy Ficus pumila, and there is relevant data available.
Polygalaxanthone XI is a research-grade compound and is not approved for therapeutic use. It serves primarily as a reference standard and a pharmacological tool for studying the traditional uses of Polygala tenuifolia. Its mechanism of action is not fully characterized, but it is used in the study of expectorant and tranquilizing agents. It is a natural product from Radix Polygalae, a Chinese herbal medicine used to prevent dementia. No clinical trials have been reported. |
| Molecular Formula |
C25H28O15
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|---|---|
| Molecular Weight |
568.4808
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| Exact Mass |
568.142
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| CAS # |
857859-82-6
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| PubChem CID |
101740054
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.8±0.1 g/cm3
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| Boiling Point |
977.4±65.0 °C at 760 mmHg
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| Flash Point |
329.1±27.8 °C
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| Vapour Pressure |
0.0±0.3 mmHg at 25°C
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| Index of Refraction |
1.765
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| LogP |
0.02
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| Hydrogen Bond Donor Count |
9
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| Hydrogen Bond Acceptor Count |
15
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
40
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| Complexity |
907
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| Defined Atom Stereocenter Count |
8
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| SMILES |
COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O
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| InChi Key |
GTRLQDJSEMBQNI-LYHRZCPZSA-N
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| InChi Code |
InChI=1S/C25H28O15/c1-36-12-2-8-11(3-9(12)28)38-13-4-10(29)15(19(32)16(13)17(8)30)21-22(20(33)18(31)14(5-26)39-21)40-24-23(34)25(35,6-27)7-37-24/h2-4,14,18,20-24,26-29,31-35H,5-7H2,1H3/t14-,18-,20+,21+,22-,23+,24+,25-/m1/s1
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| Chemical Name |
2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-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 and light. |
| 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 (~175.91 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.40 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 (4.40 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 (4.40 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 | 1.7591 mL | 8.7954 mL | 17.5908 mL | |
| 5 mM | 0.3518 mL | 1.7591 mL | 3.5182 mL | |
| 10 mM | 0.1759 mL | 0.8795 mL | 1.7591 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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