| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 25mg | |||
| 100mg | |||
| 250mg | |||
| 500mg | |||
| Other Sizes |
| Targets |
Demethylwedelolactone targets multiple proteins involved in inflammation and cancer. It is a potent trypsin inhibitor with an IC₅₀ of 3.0 μM. The compound targets NF-κB, IκB, MEK, ERK, MMP (e.g., TIMP), and IKK. It suppresses inflammatory and cancer-related signaling, including NF-κB/IKK, MAPK, and apoptosis-associated pathways. By inhibiting these pathways, Demethylwedelolactone exerts anti-inflammatory and anti-invasive effects.
|
|---|---|
| ln Vitro |
In vitro studies have demonstrated that Demethylwedelolactone is a potent trypsin inhibitor with an IC₅₀ of 3.0 μM. It suppresses cell motility and cell invasion of breast cancer cells. The compound exerts anti-invasive growth effects on breast cancer cells. It suppresses inflammatory and cancer-related signaling, including NF-κB/IKK, MAPK, and apoptosis-associated pathways. These activities make Demethylwedelolactone a valuable tool for studying cancer invasion, inflammation, and protease inhibition.
|
| ln Vivo |
In vivo, Demethylwedelolactone has been shown to reduce cytotoxicity induced by CCl₄ and galactosamine, suggesting hepatoprotective effects. The compound's anti-inflammatory and anti-invasive properties suggest potential therapeutic applications in cancer and inflammatory diseases. However, specific published in vivo studies are limited.
|
| Enzyme Assay |
In vitro non-cell enzyme assays for Demethylwedelolactone typically involve measuring trypsin inhibition using purified trypsin enzyme and a chromogenic or fluorogenic substrate. The compound is incubated with trypsin and substrate, and enzyme activity is measured spectrophotometrically or fluorometrically. IC₅₀ values are calculated from dose-response curves. Kinase inhibition assays can be performed to evaluate the compound's effects on IKK, MEK, and other kinases using purified kinases and peptide substrates.
|
| Cell Assay |
In vitro cell-based assays for Demethylwedelolactone use breast cancer cell lines (e.g., MDA-MB-231) or other cancer cell lines. Cells are treated with the compound at various concentrations, and parameters assessed include cell viability (MTT or CCK-8 assays), cell migration and invasion (wound healing or transwell assays), NF-κB and MAPK activation (Western blotting using phospho-specific antibodies), MMP expression (zymography or Western blotting), and apoptosis markers.
|
| Animal Protocol |
In vivo animal studies for Demethylwedelolactone would employ rodent models of cancer (xenograft models) or inflammation. The compound is administered orally or intraperitoneally, and parameters assessed include tumor growth (tumor volume measurements), metastasis, inflammatory markers, NF-κB and MAPK activation in tissues, and evaluation of systemic toxicity. However, specific published in vivo data for this compound are limited.
|
| ADME/Pharmacokinetics |
Demethylwedelolactone has a molecular weight of 300.22 g/mol and a molecular formula of C₁₅H₈O₇. It is soluble in DMF (30 mg/mL), DMSO (30 mg/mL), DMSO:PBS (pH 7.2) (1:1) at 0.5 mg/mL, and ethanol (20 mg/mL). The compound is a coumestan isolated from Eclipta alba. It should be stored under appropriate conditions as recommended by the manufacturer. Detailed pharmacokinetic parameters have not been extensively characterized.
|
| Toxicity/Toxicokinetics |
The toxicity profile of Demethylwedelolactone has not been comprehensively evaluated in published studies. As a natural component of Eclipta alba, which has a long history of use in traditional medicine, it is generally considered to have low toxicity. However, as a potent trypsin inhibitor, it may have significant biological effects that require careful evaluation. The compound is classified as a research reagent and is not intended for human therapeutic use.
|
| References | |
| Additional Infomation |
Desmethylvidronolactone is a member of the coumarin family of compounds. It has been reported to be found in Hypericum erectum, Wedelia trifoliata, and other organisms with relevant data.
Demethylwedelolactone is a naturally occurring coumestan isolated from Eclipta alba. It is a potent trypsin inhibitor with an IC₅₀ of 3.0 μM. The compound suppresses inflammatory and cancer-related signaling, including NF-κB/IKK, MAPK, and apoptosis-associated pathways. It exerts anti-invasive growth effects on breast cancer cells. Not approved for clinical use; intended for research purposes only. |
| Molecular Formula |
C15H8O7
|
|---|---|
| Molecular Weight |
300.2198
|
| Exact Mass |
300.027
|
| CAS # |
6468-55-9
|
| Related CAS # |
Demethylwedelolactone Sulfate;1318240-80-0
|
| PubChem CID |
5489605
|
| Appearance |
Light yellow to yellow solid powder
|
| Density |
1.8±0.1 g/cm3
|
| Boiling Point |
531.4±35.0 °C at 760 mmHg
|
| Melting Point |
360ºC
|
| Flash Point |
275.2±25.9 °C
|
| Vapour Pressure |
0.0±1.5 mmHg at 25°C
|
| Index of Refraction |
1.847
|
| LogP |
1.79
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
22
|
| Complexity |
469
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
LUTYTNLPIUCKBJ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H
|
| Chemical Name |
1,3,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 3.3309 mL | 16.6545 mL | 33.3089 mL | |
| 5 mM | 0.6662 mL | 3.3309 mL | 6.6618 mL | |
| 10 mM | 0.3331 mL | 1.6654 mL | 3.3309 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
