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| Targets |
UGT2B7 (UDP-Glucuronosyltransferase 2B7): Schisanhenol is a strong inhibitor of UGT2B7 activity. At 100 μM, it reduced the enzyme activity to 7.9% of the control activity.[1]
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| ln Vitro |
Inhibition of UGT2B7 Activity: At a screening concentration of 100 μM, schisanhenol exhibited strong inhibitory potential toward UGT2B7, with the residual activity being only 7.9% of the control activity. This indicates that schisanhenol is a potent inhibitor of UGT2B7. [1]
- Inhibition Profiles Toward Other UGT Isoforms: At 100 μM, schisanhenol did not show strong inhibition (defined as >90% inhibition) toward other UGT isoforms tested, including UGT1A1, UGT1A3, UGT1A4, UGT1A6, UGT1A7, UGT1A8, UGT1A9, UGT1A10, and UGT2B4. [1] |
| ln Vivo |
Schisanhenol (Sol) exhibited antiviral activity against tobacco mosaic virus (TMV) in Nicotiana glutinosa plants using the half-leaf method. [3]
Curative effect (treatment after TMV inoculation): At 0.5 mM, Schisanhenol showed 10.3 ± 4.7% inhibition; at 0.25 mM, 38.7 ± 9.5% inhibition; at 0.15 mM, 56.8 ± 5.9% inhibition. The positive control ningnanmycin showed 49.3 ± 5.8%, 44.4 ± 2.1%, and 34.3 ± 5.5% inhibition at the same concentrations, respectively. [3] Protective effect (treatment before TMV inoculation): At 0.5 mM, Schisanhenol showed 69.2 ± 4.7% inhibition; at 0.25 mM, 83.7 ± 6.0% inhibition; at 0.15 mM, 61.8 ± 2.6% inhibition. The positive control ningnanmycin showed 62.4 ± 5.3%, 45.3 ± 4.1%, and 32.1 ± 3.3% inhibition at the same concentrations, respectively. Schisanhenol exhibited the strongest protective activity at 0.25 mM (>80%). [3] |
| Enzyme Assay |
UGT Activity Assay in Recombinant System: The inhibitory potential of schisanhenol toward various UGT isoforms was evaluated using an in vitro recombinant UGT incubation system. For recombinant UGTs (except UGT1A4)-catalyzed 4-methylumbelliferone (4-MU) glucuronidation, the incubation system (200 μL total volume) contained recombinant human UGT isoforms, 5 mM UDPGA, 5 mM MgCl₂, 50 mM Tris-HCl (pH 7.4), and 4-MU at a concentration equal to the known Km or S50 value for each isoform. Schisanhenol was tested at a concentration of 100 μM. After a 5-minute pre-incubation at 37°C, the reaction was initiated by adding UDPGA. The reaction was quenched with 100 μL acetonitrile containing 100 μM 7-hydroxycoumarin as an internal standard. The mixture was centrifuged, and the supernatant was analyzed by HPLC with a C18 column and UV detection at 316 nm. [1]
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| Cell Assay |
Bovine aorta endothelial cells were isolated from newborn bovine thoracic aorta by digestion with 0.1% Type IV collagenase for 15 minutes at 37°C. Cells were cultured in RPMI1640 medium with 10% heat-inactivated fetal bovine serum, 95% air, 5% CO₂ at 37°C. Cells from passages 4–9 were used for experiments. [2]
For cytotoxicity measurement, BAECs were seeded at 5,000 cells/well in 96-well plates and cultured for 48 hours. The medium was replaced with serum-free medium containing ox-LDL (200 μg/mL) with or without Schisanhenol (pre-incubated for 1 hour). After 24 hours, cell morphology was observed, LDH release was measured using a diagnostic kit, and cell viability was assessed by MTT assay. [2] For apoptosis assays, BAECs were exposed to ox-LDL (200 μg/mL) with or without Sal for 24 hours. Cells were then collected and stained with Hoechst 33342 (10 μg/mL) for 30 minutes to observe chromatin condensation under fluorescence microscopy. For DNA fragmentation analysis, cells were lysed, DNA was extracted with phenol-chloroform, precipitated, and analyzed by 1.5% agarose gel electrophoresis. For flow cytometry analysis, cells were fixed in 70% ethanol, treated with RNase A, stained with propidium iodide (50 μg/mL), and analyzed (10,000 cells/sample). [2] For intracellular ROS measurement, cells were incubated with DCFH-DA (10 μM) with or without Sal for 30 minutes, then stimulated with ox-LDL (200 μg/mL) for 15 minutes. ROS production was detected by flow cytometry (10,000 cells/sample) and visualized by confocal laser scanning microscopy, with fluorescence intensity indicating ROS levels. [2] |
| Animal Protocol |
TMV antiviral activity assay (half-leaf method): Nicotiana glutinosa plants were cultivated in an insect-free greenhouse and used at the 4-5 leaf stage. TMV (U1 strain, purified by Gooding's method) was diluted to 50 μg/mL with 0.01 M phosphate buffered saline (PBS). For curative effect testing, TMV was inoculated onto leaves first, followed by compound treatment. For protective effect testing, compound treatment was applied before TMV inoculation. The number of local lesions appearing 3-4 days after inoculation was counted. Each compound was tested in triplicate. Inhibition percentage was calculated relative to controls. Ningnanmycin was used as the positive control. Test concentrations were 0.5, 0.25, and 0.15 mM. [3]
TMV antiviral activity assay (half-leaf method): Nicotiana glutinosa plants were cultivated in an insect-free greenhouse and used at the 4-5 leaf stage. TMV (U1 strain, purified by Gooding's method) was diluted to 50 μg/mL with 0.01 M phosphate buffered saline (PBS). For curative effect testing, TMV was inoculated onto leaves first, followed by compound treatment. For protective effect testing, compound treatment was applied before TMV inoculation. The number of local lesions appearing 3-4 days after inoculation was counted. Each compound was tested in triplicate. Inhibition percentage was calculated relative to controls. Ningnanmycin was used as the positive control. Test concentrations were 0.5, 0.25, and 0.15 mM. [3] |
| Toxicity/Toxicokinetics |
In the cell-based assays, the protective effects were observed at concentrations up to 50 μM without indications of direct cytotoxicity from the compound itself. [2]
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| References |
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| Additional Infomation |
Schisanhenol has been reported to be present in Schisandra chinensis, Schisandra chinensis, and other organisms with relevant data. See also: Schisandra chinensis fruit (partial).
Background: Schisanhenol is one of the constituents isolated from Schisandra chinensis, a traditional Chinese medicine used to treat hepatitis, menstrual dysfunction, and neurasthenia. It is a lignan compound structurally related to other Schisandra components such as schisandrin A, schisandrin, and schisandrin C. [1] - Structure-Activity Relationship: Among the tested Schisandra chinensis components, schisanhenol was identified as the strongest inhibitor of UGT2B7, with a residual activity of only 7.9% at 100 μM. This indicates that the structural features of schisanhenol confer selective and potent inhibition toward this specific UGT isoform. [1] - Herb-Drug Interaction Potential: The strong inhibition of UGT2B7 by schisanhenol suggests that co-administration of Schisandra chinensis (or products containing schisanhenol) with drugs primarily metabolized by UGT2B7 could lead to significant herb-drug interactions, potentially altering the pharmacokinetics and increasing the risk of adverse effects of those drugs. UGT2B7 is involved in the metabolism of many clinically important drugs, including morphine, nonsteroidal anti-inflammatory drugs (NSAIDs), and various anticancer agents. [1] |
| Molecular Formula |
C23H30O6
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|---|---|
| Molecular Weight |
402.48
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| Exact Mass |
402.204
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| CAS # |
69363-14-0
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| PubChem CID |
73057
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
563.9±50.0 °C at 760 mmHg
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| Melting Point |
130 °C
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| Flash Point |
294.8±30.1 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.536
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| LogP |
5.34
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
29
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| Complexity |
516
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@H]1C)OC)OC)OC)O)OC)OC
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| InChi Key |
FYSHYFPJBONYCQ-QWHCGFSZSA-N
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| InChi Code |
InChI=1S/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/m0/s1
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| Chemical Name |
(9S,10R)-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-3-ol
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| Synonyms |
Gomisin K3Schisanhenol
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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 |
| 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 : ~250 mg/mL (~621.15 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6.25 mg/mL (15.53 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 62.5 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: ≥ 6.25 mg/mL (15.53 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 62.5 mg/mL clear DMSO stock solution to 900 μL corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4846 mL | 12.4230 mL | 24.8460 mL | |
| 5 mM | 0.4969 mL | 2.4846 mL | 4.9692 mL | |
| 10 mM | 0.2485 mL | 1.2423 mL | 2.4846 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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