| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Targets |
Sophoranone has been identified as a potential inhibitor of sialidase (neuraminidase), with a binding affinity (BindP) of 9.9868 and an inhibitory activity of 0.584. Sialidases are enzymes that cleave sialic acid residues from glycoproteins and glycolipids, playing roles in various biological processes including cell adhesion, immune regulation, and cancer metastasis. Sophoranone's activity against sialidase may contribute to its potential anticancer effects.
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| ln Vitro |
Sophoranone has been studied for its in vitro activities, particularly its potential anticancer effects. The compound has been evaluated in systems pharmacology databases for its activity against stomach cancer. As a prenylated flavonoid, Sophoranone may exhibit antioxidant, anti-inflammatory, and anticancer activities through various mechanisms including enzyme inhibition and modulation of signaling pathways.
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| ln Vivo |
In vivo activity of Sophoranone has been suggested based on its identification as a potential anticancer compound in systems pharmacology databases. However, detailed in vivo efficacy data have not been extensively reported in the available literature. The compound is a natural product that has been identified in traditional Chinese medicine and is being investigated for its potential therapeutic applications.
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| Enzyme Assay |
Non-cell-based binding assays for Sophoranone typically involve measuring the affinity of the compound for its target, sialidase. A standard protocol includes surface plasmon resonance (SPR) or fluorescence polarization using purified sialidase protein. The compound's ability to inhibit sialidase activity can be assessed using a fluorogenic substrate such as 4-methylumbelliferyl-N-acetylneuraminic acid (MU-NANA). The inhibition constant (Ki) or IC50 can be determined from dose-response curves.
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| Cell Assay |
Cellular assays for Sophoranone typically involve cancer cell lines to assess antiproliferative activity. A representative protocol includes: culturing cancer cells (e.g., gastric cancer cell lines) in appropriate medium, treating with Sophoranone at various concentrations (0.1–100 μM) for 48–72 hours, and assessing cell viability using MTT or CellTiter-Glo assays. The compound's effects on cell migration and invasion can also be assessed using scratch wound healing or Transwell assays.
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| Animal Protocol |
In vivo animal studies with Sophoranone have not been extensively reported in the available literature. If conducted, a typical protocol would involve xenograft mouse models of cancer, with administration of the compound via oral gavage or intraperitoneal injection at doses determined from pharmacokinetic studies. Tumor growth, body weight, and survival would be monitored, and tumors would be harvested for histopathological analysis.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Sophoranone have not been extensively reported in the available literature. As a natural product with a molecular weight of 460.6 g/mol and moderate lipophilicity, it is expected to have reasonable oral bioavailability. The compound is a prenylated flavonoid, and its metabolism may involve phase I and phase II metabolic pathways typical of flavonoids.
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| Toxicity/Toxicokinetics |
As a natural product research compound, Sophoranone is not intended for human therapeutic use without further development, and comprehensive toxicological data are limited. Standard safety assessments would include cytotoxicity screening in normal and cancer cell lines and preliminary toxicology studies in animal models. The compound should be handled with appropriate safety precautions in the laboratory.
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| References | |
| Additional Infomation |
Sophorone is a dihydroxyflavanone with the structure (2S)-flavanone, substituted with hydroxyl groups at the 7' and 4' positions and isopentenyl groups at the 3' and 5' positions. It is a plant metabolite. Sophorone belongs to the dihydroxyflavanone family and is also a member of the 4'-hydroxyflavanone family. It is functionally related to (2S)-flavanones. Sophorone has been reported to be found in Millettia pulchra, Apis cerana, and other organisms with relevant data.
Sophoranone (also known as (-)-Sophoranone) is a naturally occurring prenylated flavonoid isolated from Sophora species. The compound has been identified in systems pharmacology databases as a potential anticancer agent, particularly against stomach cancer, with activity against sialidase. Sophoranone is referenced in the KNApSAcK metabolite database (C00001005) and has been studied in various publications. The compound represents a natural product with potential therapeutic applications that warrant further investigation. |
| Molecular Formula |
C30H36O4
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|---|---|
| Molecular Weight |
460.60
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| Exact Mass |
460.261
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| CAS # |
23057-55-8
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| PubChem CID |
441767
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| Appearance |
White to off-white solid powder
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| Density |
1.117±0.06 g/cm3
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| Vapour Pressure |
3.29E-17mmHg at 25°C
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| LogP |
7.33
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
34
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| Complexity |
752
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C/C(=C/CC1=CC([C@@H]2CC(=O)C3C=CC(=C(C/C=C(\C)/C)C=3O2)O)=CC(C/C=C(\C)/C)=C1O)/C
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| InChi Key |
IORSRBKNYXPSDO-NDEPHWFRSA-N
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| InChi Code |
InChI=1S/C30H36O4/c1-18(2)7-10-21-15-23(16-22(29(21)33)11-8-19(3)4)28-17-27(32)25-13-14-26(31)24(30(25)34-28)12-9-20(5)6/h7-9,13-16,28,31,33H,10-12,17H2,1-6H3/t28-/m0/s1
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| Chemical Name |
(2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-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: 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) |
Typically soluble in DMSO (e.g. 10 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 | 2.1711 mL | 10.8554 mL | 21.7108 mL | |
| 5 mM | 0.4342 mL | 2.1711 mL | 4.3422 mL | |
| 10 mM | 0.2171 mL | 1.0855 mL | 2.1711 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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