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| 5mg |
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| Other Sizes |
| Targets |
Isoscabertopin exerts its biological effects through multiple mechanisms. It is known to inhibit NF-κB signaling, a key pathway involved in inflammation, cell survival, and cancer progression. The compound modulates cellular redox balance, thereby regulating apoptosis and inflammatory responses. As a sesquiterpene lactone, Isoscabertopin may also alkylate cellular thiols and modulate other signaling pathways including MAPK and PI3K/Akt. Its anticancer activity involves induction of apoptosis and inhibition of tumor cell proliferation.
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| ln Vitro |
In vitro, Isoscabertopin has demonstrated anticancer activity against various cancer cell lines. The compound's anti-tumor activity has been characterized in cellular assays, where it inhibits cell proliferation and induces apoptosis. Its cytotoxicity is mediated through NF-κB inhibition and modulation of cellular redox balance. Isoscabertopin also exhibits anti-inflammatory and antimicrobial properties. The compound's potency and mechanism of action have been studied in vitro, showing concentration-dependent effects. However, specific in vitro data for Isoscabertopin are limited compared to more extensively studied sesquiterpene lactones.
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| ln Vivo |
In vivo, Isoscabertopin has been studied for its anti-tumor activity. As a sesquiterpene lactone with anticancer properties, it has the potential to suppress tumor growth in animal models. However, detailed in vivo efficacy data for Isoscabertopin are limited. The compound's anti-inflammatory activity suggests potential applications in inflammatory diseases. Further preclinical studies are needed to fully characterize the in vivo activity, pharmacokinetics, and therapeutic potential of Isoscabertopin.
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| Enzyme Assay |
Non-cell-based assays for Isoscabertopin involve characterization of its chemical properties and biological activities. The compound's structure is confirmed by NMR and MS. Its ability to inhibit NF-κB signaling is measured using reporter gene assays or electrophoretic mobility shift assays (EMSA). Antioxidant activity is assessed by DPPH radical scavenging assays. The compound's purity and stability are characterized by HPLC. Enzyme inhibition assays may be used to study its effects on specific targets involved in inflammation or cancer.
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| Cell Assay |
Cellular assays for Isoscabertopin are performed using various cancer cell lines. Cells are treated with Isoscabertopin at various concentrations, and cell viability is measured by MTT or CellTiter-Glo assays. Apoptosis is assessed by Annexin V/PI staining, caspase activation, and DNA fragmentation. NF-κB activation is evaluated by measuring NF-κB p65 nuclear translocation, IκB degradation, and NF-κB-dependent reporter gene activity. Inflammatory cytokine production is measured by ELISA. Cell cycle analysis is performed by flow cytometry.
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| Animal Protocol |
In vivo experiments with Isoscabertopin are conducted in mouse xenograft models using cancer cell lines. Mice are implanted subcutaneously with tumor cells and, when tumors reach a specified size, treated with Isoscabertopin via oral or intraperitoneal administration. Tumor volume is measured longitudinally, and tumor growth inhibition is calculated. Tumor tissues are harvested for histology and pharmacodynamic analysis including assessment of apoptosis, proliferation, and NF-κB signaling. Body weight and clinical signs are monitored for tolerability. However, detailed in vivo data are limited.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Isoscabertopin have not been extensively characterized. As a sesquiterpene lactone, the compound is expected to have moderate lipophilicity and may be absorbed after oral administration. Its bioavailability, half-life, metabolism, and excretion are not well-defined. The compound's stability in biological matrices and its metabolic fate are areas of ongoing research. Comprehensive PK studies are needed to support further development.
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| Toxicity/Toxicokinetics |
The toxicity profile of Isoscabertopin has not been comprehensively evaluated. As a natural product with anticancer activity, the compound may have cytotoxic effects at therapeutic concentrations. Sesquiterpene lactones can be hepatotoxic or nephrotoxic at high doses. The compound's safety profile, including genotoxicity, organ toxicity, and maximum tolerated dose, has not been fully characterized. The compound is for research use only and is not intended for human consumption.
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| References | |
| Additional Infomation |
Reports indicate that scabertopin has been found in Elephantopus scaber and Elephantopus mollis, and relevant data are available for reference.
Isoscabertopin (CAS# 439923-16-7) is a sesquiterpene lactone with the molecular formula C₂₀H₂₂O₆ and a molecular weight of 358.39. It is isolated from Elephantopus scaber L. and has demonstrated anti-tumor (anticancer) activity. The compound is known to inhibit NF-κB signaling and modulate cellular redox balance, thereby regulating apoptosis and inflammatory responses. Isoscabertopin has also been studied for its anti-inflammatory, antimicrobial, and cytotoxic properties. As of current knowledge, Isoscabertopin is not approved as a therapeutic agent and is available for research use only. |
| Molecular Formula |
C20H22O6
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|---|---|
| Molecular Weight |
358.39
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| Exact Mass |
358.141
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| CAS # |
439923-16-7
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| PubChem CID |
21575211
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| Appearance |
White to off-white solid
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
592.7±50.0 °C at 760 mmHg
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| Flash Point |
260.5±30.2 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.558
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| LogP |
2.03
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
26
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| Complexity |
769
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| Defined Atom Stereocenter Count |
4
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| SMILES |
O1C(C(=C([H])[H])C2([H])C1([H])C([H])=C(C([H])([H])[H])C([H])([H])C1([H])C([H])=C(C(=O)O1)C([H])([H])C2([H])OC(C(=C([H])C([H])([H])[H])C([H])([H])[H])=O)=O
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| InChi Key |
FTPHYXGWMIZVMP-GAFRNKKQSA-N
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| InChi Code |
InChI=1S/C20H22O6/c1-5-11(3)18(21)25-16-9-13-8-14(24-20(13)23)6-10(2)7-15-17(16)12(4)19(22)26-15/h5,7-8,14-17H,4,6,9H2,1-3H3/b10-7+,11-5-/t14-,15-,16+,17+/m1/s1
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| Chemical Name |
[(3S,4R,8R,9E,12R)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (Z)-2-methylbut-2-enoate
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| Synonyms |
Isoscabertopin
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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) |
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 | 2.7903 mL | 13.9513 mL | 27.9026 mL | |
| 5 mM | 0.5581 mL | 2.7903 mL | 5.5805 mL | |
| 10 mM | 0.2790 mL | 1.3951 mL | 2.7903 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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