| Size | Price | Stock | Qty |
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| 1mg |
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| 50mg | |||
| Other Sizes |
| Targets |
The specific molecular targets of Toxicarol isoflavone are not well-defined in the available literature. As an isoflavone, it is expected to interact with various cellular targets involved in inflammation, oxidative stress, and cell proliferation. Isoflavonoids are known to modulate signaling pathways such as NF-kappaB, MAPK, and PI3K/AKT, and to act as antioxidants by scavenging free radicals. Toxicarol isoflavone may also interact with estrogen receptors due to the structural similarity of isoflavones to estrogens, although this has not been confirmed for this specific compound. Further studies are needed to identify its precise molecular targets and mechanisms of action.
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| ln Vitro |
In vitro, Toxicarol isoflavone has been shown to possess antioxidant activity, as quantified by its free-radical scavenging capacity using standard assays such as DPPH and ABTS. It also exhibits anti-inflammatory effects by modulating inflammatory pathways in cell-based assays. The compound's potential anticancer properties have been suggested based on its structural similarity to other isoflavonoids with cancer chemopreventive activity. However, detailed studies on its cytotoxicity against specific cancer cell lines are limited. Toxicarol isoflavone is also reported to have toxic effects on organisms such as rats, mice, rabbits, and chickens.
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| ln Vivo |
In vivo, Toxicarol isoflavone has been shown to have toxic effects on organisms such as rats, mice, rabbits, and chickens. This toxicity suggests potential applications in pest control or as a toxicological research tool. However, the compound's therapeutic potential in vivo has not been extensively studied. Its antioxidant, anti-inflammatory, and anticancer properties observed in vitro suggest that it may have beneficial effects in animal models of these conditions, but further studies are needed to confirm these effects and to characterize its pharmacokinetics and safety profile.
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| Enzyme Assay |
Cell-free assays for Toxicarol isoflavone typically involve assessing its antioxidant activity. A common protocol for DPPH radical scavenging assay involves preparing a DPPH solution in methanol and incubating it with various concentrations of Toxicarol isoflavone at room temperature for 30 minutes. The absorbance is measured at 517 nm, and the percentage of radical scavenging activity is calculated. For ABTS radical cation decolorization assay, ABTS is oxidized with potassium persulfate to generate the ABTS radical cation, which is then incubated with the compound. The decrease in absorbance at 734 nm is measured. The IC50 value is determined by plotting the percentage of scavenging against the compound concentration.
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| Cell Assay |
For in vitro cellular experiments, cells (e.g., macrophages, cancer cell lines) are cultured in appropriate media and treated with Toxicarol isoflavone at various concentrations (typically 1-100 uM). For anti-inflammatory studies, macrophages are stimulated with LPS in the presence or absence of the compound, and the production of pro-inflammatory cytokines (e.g., TNF-alpha, IL-6) is measured by ELISA. For antioxidant studies, cells are exposed to oxidative stress (e.g., H2O2) in the presence or absence of the compound, and oxidative stress markers (e.g., ROS, MDA) are measured. Cell viability is assessed using MTT or CCK-8 assays to ensure that observed effects are not due to cytotoxicity.
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| Animal Protocol |
In vivo animal experiments with Toxicarol isoflavone are limited. However, the compound has been reported to have toxic effects on rats, mice, rabbits, and chickens. A typical toxicity study would involve administering the compound to animals via oral gavage or intraperitoneal injection at various doses (e.g., 1-100 mg/kg). Animals are observed for signs of toxicity, and mortality, body weight, and organ weights are recorded. Blood and tissue samples are collected for hematological, biochemical, and histopathological analysis. The LD50 (lethal dose for 50% of the population) can be determined from the mortality data.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Toxicarol isoflavone are not well-documented in the available literature. As an isoflavone with a molecular weight of 410.42 g/mol and a molecular formula of C23H22O7, it is expected to have moderate lipophilicity and may be orally bioavailable. However, its absorption, distribution, metabolism, and excretion properties have not been characterized. The compound is typically stored at -20degC and is stable in its pure form. Further pharmacokinetic studies are needed to determine its bioavailability, half-life, and tissue distribution.
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| Toxicity/Toxicokinetics |
The toxicity profile of Toxicarol isoflavone has been partially characterized in animal studies. The compound has been shown to have toxic effects on rats, mice, rabbits, and chickens. However, the specific toxicological endpoints, dose-response relationships, and mechanisms of toxicity have not been fully elucidated. The compound's name "toxicarol" suggests inherent toxicity, and caution should be exercised when handling it. The compound should be handled with standard laboratory precautions, including the use of personal protective equipment, and is intended for research use only.
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| References | |
| Additional Infomation |
Toxicarolisoflavone have reportedly been found in Millettia brandisiana, Derris montana, and other organisms with available data.
Toxicarol isoflavone is a naturally occurring isoflavone extracted from plants such as Millettia brandisiana, Derris trifoliata, and Spatholobus species. It has a molecular formula of C23H22O7 and a molecular weight of 410.42 g/mol. The compound exhibits antioxidant, anti-inflammatory, and potential anticancer properties. It has also been reported to have toxic effects on rats, mice, rabbits, and chickens. Toxicarol isoflavone is available as a research compound for studying the biological activities of isoflavonoids and their potential applications in inflammation, cancer, and toxicology. It is not approved for clinical use. |
| Molecular Formula |
C23H22O7
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|---|---|
| Molecular Weight |
410.416587352753
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| Exact Mass |
410.136
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| CAS # |
3044-60-8
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| PubChem CID |
14057036
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| Appearance |
Off-white to yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
621.1±55.0 °C at 760 mmHg
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| Melting Point |
219-220℃ (ethyl acetate )
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| Flash Point |
217.0±25.0 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.597
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| LogP |
5.52
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
30
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| Complexity |
714
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1(C=CC2=C(O1)C=C(C3=C2OC=C(C3=O)C4=CC(=C(C=C4OC)OC)OC)O)C
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| InChi Key |
WNIRAQXHOVJVDB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H22O7/c1-23(2)7-6-12-17(30-23)9-15(24)20-21(25)14(11-29-22(12)20)13-8-18(27-4)19(28-5)10-16(13)26-3/h6-11,24H,1-5H3
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| Chemical Name |
5-hydroxy-8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-h]chromen-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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 2.4365 mL | 12.1826 mL | 24.3653 mL | |
| 5 mM | 0.4873 mL | 2.4365 mL | 4.8731 mL | |
| 10 mM | 0.2437 mL | 1.2183 mL | 2.4365 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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