| 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 | |||
| Other Sizes |
Purity: ≥98%
| Targets |
Shionone specifically inhibits NLRP3 inflammasome activation in vitro and in vivo. It is also an effective inhibitor of human neutrophil elastase.
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|---|---|
| ln Vitro |
In vitro, Shionone inhibits NLRP3 inflammasome activation. Its anti-inflammatory mechanism is related to the decrease in the phosphorylation level of ERK1/2 protein and IκBα, and the protein expression of iNOS.
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| ln Vivo |
Shikonone (oral; 80 mg/kg; three days; once daily) can lessen xylene-induced ear edema and tends to increase sputum output but has no effect on ammonia-induced cough [1].
In vivo, Shionone specifically inhibits NLRP3 inflammasome activation. It has shown efficacy in models of inflammatory lung diseases, including H1N1 and SARS virus infections, due to its inhibition of human neutrophil elastase. |
| Enzyme Assay |
In vitro enzyme assays for Shionone involve measuring its inhibitory activity against human neutrophil elastase (HNE). The enzyme is incubated with a fluorogenic or chromogenic substrate in the presence of varying concentrations of the compound. The release of the fluorescent or chromogenic product is measured to determine the inhibition of elastase activity.
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| Cell Assay |
In vitro cellular assays for Shionone are performed using macrophage or other immune cell lines to study its effect on NLRP3 inflammasome activation. Cells are primed with LPS and then stimulated with ATP or nigericin to activate the inflammasome. The compound's ability to inhibit caspase-1 activation and IL-1β secretion is measured by ELISA or Western blot.
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| Animal Protocol |
Animal/Disease Models: ICR male mice [1]
Doses: 80 mg/kg Route of Administration: po (po (oral gavage)) 3 days; one time/day Experimental Results: The use of rhodolone can reduce ear edema by 11.3%. In vivo animal studies for Shionone are conducted in mouse models of inflammation, such as LPS-induced acute lung injury or carrageenan-induced paw edema. The compound is administered orally or intraperitoneally, and inflammatory markers (e.g., IL-1β, TNF-α) in serum or tissue are measured. Lung histology is examined for inflammatory cell infiltration. |
| ADME/Pharmacokinetics |
Pharmacokinetic data for Shionone are not detailed in publicly available sources. As a triterpenoid, its oral bioavailability may be limited, but it has shown in vivo activity, suggesting sufficient systemic exposure. Further PK characterization is needed.
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| Toxicity/Toxicokinetics |
Toxicological data for Shionone are not widely published. As a component of a traditional herbal medicine, it is expected to have a reasonable safety profile. No significant toxicity has been reported in the available literature.
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| References |
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| Additional Infomation |
Shionone is a tetracyclic triterpenoid compound with a fully hydrogenated chrysene structure. Methyl groups are substituted at positions 1, 4bbβ, 6aα, 8β, 10abβ, and 12a; a 4-methylpent-3-enyl group is substituted at position 8α; and a carbonyl group is substituted at position 2. It is a tetracyclic triterpenoid compound and also a cyclic terpene ketone. Shionone has been reported to exist in Aster baccharoides, Aster poliothamnus, and other organisms with relevant data.
Shionone is a natural product isolated from Aster tataricus, a plant used in traditional Chinese medicine. It is a triterpenoid with a unique six-membered tetracyclic skeleton. It is being studied for its potential in treating inflammatory diseases, particularly those involving the NLRP3 inflammasome and neutrophil elastase. It is not an approved drug. |
| Molecular Formula |
C30H50O
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|---|---|
| Molecular Weight |
426.73
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| Exact Mass |
426.386
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| CAS # |
10376-48-4
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| Related CAS # |
10376-48-4
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| PubChem CID |
12315507
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| Appearance |
White to off-white solid powder
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
485.6±14.0 °C at 760 mmHg
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| Melting Point |
161-162°
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| Flash Point |
200.5±15.1 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.498
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| LogP |
11
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
31
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| Complexity |
760
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| Defined Atom Stereocenter Count |
8
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| SMILES |
C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@](C4)(C)CCC=C(C)C)C)C)C)C
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| InChi Key |
HXPXUNQUXCHJLL-LZQQOHPBSA-N
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| InChi Code |
InChI=1S/C30H50O/c1-21(2)10-9-14-26(4)16-19-30(8)25-13-15-28(6)22(3)23(31)11-12-24(28)29(25,7)18-17-27(30,5)20-26/h10,22,24-25H,9,11-20H2,1-8H3/t22-,24+,25-,26+,27-,28+,29-,30+/m0/s1
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| Chemical Name |
(1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydrochrysen-2(1H)-one
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| Synonyms |
Shionone UNII-BT0AMD31UB
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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) |
Ethanol : ~2 mg/mL (~4.69 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 0.77 mg/mL (1.80 mM) in 10% EtOH + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 7.7 mg/mL clear EtOH 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: 0.77 mg/mL (1.80 mM) in 10% EtOH + 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 7.7 mg/mL clear EtOH 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: ≥ 0.77 mg/mL (1.80 mM) (saturation unknown) in 10% EtOH + 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 | 2.3434 mL | 11.7170 mL | 23.4340 mL | |
| 5 mM | 0.4687 mL | 2.3434 mL | 4.6868 mL | |
| 10 mM | 0.2343 mL | 1.1717 mL | 2.3434 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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