| Size | Price | Stock | Qty |
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| 1mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Merodantoin targets cancer cells expressing KRAS mutations. Its mechanism involves triggering ROS-dependent autophagy, which leads to apoptosis. It induces apoptosis in a variety of human cancer cell lines. It is an imidazolidine-derivative compound with selective anti-tumor activity. Its mechanism is related to the production of reactive oxygen species (ROS) and activation of Akt-dependent pathways.
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| ln Vitro |
In vitro, merodantoin triggers apoptosis associated with ROS-dependent autophagy in a variety of human cancer cell lines. It targets cancer cells expressing KRAS mutations. It has significant antitumor activity in vitro with less toxicity to normal cells. Its activity is characterized by its ability to induce cell death in cancer cells while sparing normal cells.
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| ln Vivo |
In vivo, merodantoin has significant antitumor activity with less toxicity to normal cells and tissues. It has been studied in animal models of cancer. Its efficacy is related to its ability to induce ROS-dependent autophagy and apoptosis in tumor tissues. Its selectivity for KRAS-mutant cancers makes it a promising targeted therapy.
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| Enzyme Assay |
In vitro enzyme/receptor binding studies are not typically performed for merodantoin, as its mechanism is not based on enzyme or receptor binding. Its activity is assessed by measuring its effects on cell viability, apoptosis, and autophagy in cancer cell lines. ROS production is measured using fluorescent probes such as DCFH-DA.
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| Cell Assay |
In vitro cellular assays for merodantoin involve culturing cancer cell lines (e.g., those with KRAS mutations) in the presence of serial dilutions of the compound. Cell viability is assessed using MTT or CellTiter-Glo assays. Apoptosis is quantified by flow cytometry with Annexin V/PI staining. Autophagy is assessed by measuring LC3-II accumulation or autophagosome formation. ROS production is measured using fluorescent probes.
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| Animal Protocol |
In vivo animal studies for merodantoin include xenograft models using human cancer cell lines, particularly those with KRAS mutations. Tumor-bearing mice are treated with merodantoin via injection or oral administration. Endpoints include tumor volume measurement, survival analysis, and histopathological examination of tumors for apoptosis and autophagy markers. Standard protocols include dose-response assessment and comparison to vehicle controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of merodantoin include a molecular weight of 242.34 and a molecular formula of C₁₁H₁₈N₂O₂S. It is an imidazolidine-derivative compound. Detailed pharmacokinetic parameters such as half-life and bioavailability are not extensively documented. It is available as a solid powder for research use.
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| Toxicity/Toxicokinetics |
Toxicological data for merodantoin indicate that it has less toxicity to normal cells and tissues compared to cancer cells. In animal studies, it is generally well-tolerated at therapeutic doses. Standard toxicology parameters such as body weight, organ weight, and histopathology are monitored in long-term studies. Further toxicity studies are required for clinical development.
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| Additional Infomation |
1,3-Dibutyl-2-thiomethyleneimidazolidine-4,5-dione is an organic nitrogen and organic oxygen compound. Functionally, it is associated with α-amino acids.
Merodantoin is an apoptosis inducer that triggers ROS-dependent autophagy in cancer cells. It targets cancer cells expressing KRAS mutations. It has significant antitumor activity in vitro and in vivo. It belongs to a class of heterocycles known for diverse pharmacological activities. It is not approved for human therapeutic use and is available for research purposes. |
| Molecular Formula |
C11H18N2O2S
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|---|---|
| Molecular Weight |
242.33782
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| Exact Mass |
242.109
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| CAS # |
143413-73-4
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| PubChem CID |
134014
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.18g/cm3
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| Boiling Point |
309ºC at 760mmHg
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| Vapour Pressure |
0.000658mmHg at 25°C
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| Index of Refraction |
1.56
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| LogP |
1.418
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
16
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| Complexity |
276
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCN1C(=O)C(=O)N(CCCC)C1=S
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| InChi Key |
XUHLNLNNPFTDLA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H18N2O2S/c1-3-5-7-12-9(14)10(15)13(11(12)16)8-6-4-2/h3-8H2,1-2H3
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| Chemical Name |
1,3-dibutyl-2-sulfanylideneimidazolidine-4,5-dione
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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 | 4.1264 mL | 20.6322 mL | 41.2643 mL | |
| 5 mM | 0.8253 mL | 4.1264 mL | 8.2529 mL | |
| 10 mM | 0.4126 mL | 2.0632 mL | 4.1264 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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