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| Targets |
Methyl propyl disulfide targets various biological pathways associated with its anticancer and antioxidant activities. As a volatile sulfur-containing compound produced in garlic and onions, it has been studied for its anticancer effects. The compound has demonstrated the ability to inhibit glutathione S-transferase placental form-positive hepatocellular foci induction in rats. Its antioxidant properties suggest interactions with cellular redox systems and reactive oxygen species. The compound's antimicrobial and antifungal activities indicate potential targets in microbial cell membranes or metabolic pathways. Research has explored its mechanisms in both in vitro and in vivo models to understand its anticancer properties. The compound may modulate immune function and reduce inflammation through its biological activities.
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| ln Vitro |
In vitro studies have demonstrated that methyl propyl disulfide exhibits notable biological activities. The compound has shown antimicrobial and antifungal properties in cell-based assays. Its antioxidant activity has been evaluated using various in vitro systems measuring free radical scavenging capacity. Research has explored its anticancer effects in cell culture models, investigating its mechanisms of action. The compound has been studied for its ability to inhibit glutathione S-transferase activity in vitro. Methyl propyl disulfide also demonstrates potential immune-boosting and anti-inflammatory effects in cellular assays. These in vitro findings support its potential therapeutic applications and provide a foundation for understanding its biological mechanisms at the cellular level.
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| ln Vivo |
In vivo studies of methyl propyl disulfide have focused on its anticancer properties and effects on enzyme activity. Research in rats has demonstrated dose-dependent inhibition of glutathione S-transferase placental form-positive hepatocellular foci induction. This suggests that the compound may have chemopreventive potential against liver cancer development. The compound is produced naturally in garlic and onions and is absorbed through dietary consumption. Its volatile nature allows for rapid distribution following absorption. Studies have investigated the impact of pulsed electric fields on volatile compounds including methyl propyl disulfide in whole onions. The compound's in vivo biological activities support its potential health benefits, including immune function enhancement and inflammation reduction. Further research is needed to fully characterize its dose-response relationships and therapeutic window.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for methyl propyl disulfide typically involve testing its inhibitory activity against target enzymes such as glutathione S-transferase. Enzyme activity is measured spectrophotometrically by monitoring the conjugation of glutathione with substrate molecules. The compound's antioxidant activity is assessed using cell-free systems such as DPPH radical scavenging assays, ABTS assays, or ferric reducing antioxidant power (FRAP) assays. For antimicrobial activity evaluation, standard disc diffusion or broth microdilution methods are employed to determine minimum inhibitory concentrations (MICs) against various bacterial and fungal strains. Binding affinity studies may utilize surface plasmon resonance or isothermal titration calorimetry to characterize interactions with potential protein targets. All assays are performed with appropriate positive and negative controls to ensure validity and reproducibility of results.
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| Cell Assay |
In vitro cell-based assays for methyl propyl disulfide involve culturing various cancer cell lines to evaluate its anticancer effects. Cells are treated with different concentrations of the compound for specified durations (typically 24-72 hours), after which cell viability is assessed using MTT, CCK-8, or trypan blue exclusion assays. Apoptosis is quantified using flow cytometry with Annexin V/PI staining or via caspase activity measurements. For antimicrobial activity assessment, cell viability of bacterial or fungal cultures is monitored by optical density measurements at 600 nm or by colony counting on agar plates. The compound's antioxidant effects are evaluated in cell culture by measuring reactive oxygen species levels using fluorescent probes such as DCFH-DA. All experiments are performed in triplicate with appropriate vehicle controls and positive controls (e.g., known antioxidants or anticancer agents) to ensure statistical reliability.
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| Animal Protocol |
In vivo animal experiments for methyl propyl disulfide utilize rodent models to evaluate its anticancer and chemopreventive properties. Rats are administered the compound at various doses through dietary supplementation or oral gavage. The development of glutathione S-transferase placental form-positive hepatocellular foci is monitored as a marker of preneoplastic changes in the liver. Dose-dependent inhibition of foci formation is assessed by histopathological examination of liver tissue sections. Body weight, food consumption, and general health are monitored throughout the study. For safety evaluation, animals are observed for signs of toxicity and adverse effects. At study termination, liver tissues are collected for biochemical analysis and histopathological evaluation. Control groups receiving vehicle alone are included for comparison. All procedures comply with institutional animal care and use committee guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of methyl propyl disulfide are characteristic of volatile organosulfur compounds. The compound has a molecular weight of 122.25 and is soluble in DMSO at 100 mg/mL. Its volatile nature facilitates rapid absorption through the respiratory and gastrointestinal tracts. The compound is expected to distribute throughout the body following absorption, with metabolism likely occurring in the liver. As a small lipophilic molecule, it can cross biological membranes readily. The compound's storage recommendation is at -20°C. Studies on pulsed electric fields have examined its stability and volatility in food matrices. Complete pharmacokinetic profiling including half-life, clearance, volume of distribution, and bioavailability would require further systematic investigation using appropriate analytical methods such as gas chromatography-mass spectrometry.
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| Toxicity/Toxicokinetics |
The toxicity profile of methyl propyl disulfide has been partially characterized. Studies in rats have evaluated its safety at various doses. The compound is classified as a volatile organosulfur compound with potential irritant properties due to its sulfur content. At research use concentrations, it is generally considered safe for laboratory applications. The compound has been studied for its dose-dependent inhibition of preneoplastic foci without significant toxicity at effective doses. However, as with all volatile sulfur compounds, proper handling procedures including use of fume hoods and personal protective equipment are recommended to minimize exposure. The compound is not approved for human therapeutic use and is intended for research purposes only. Long-term toxicity studies would be needed to fully establish its safety profile.
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| References |
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| Additional Infomation |
Methylpropyl disulfide is an organic disulfide. It has been reported to exist in scallions (Allium ampeloprasum), neem (Azadirachta indica), and other organisms with relevant data.
Methyl propyl disulfide (CAS# 2179-60-4) is also known as 1-(methyldisulfanyl)propane. The compound has a purity of ≥95% and is supplied as a research-grade material. It is a naturally occurring volatile sulfur-containing compound produced in garlic and onions with demonstrated anticancer effects. References supporting its biological activity include studies on pulsed electric fields impact on volatile compounds in whole onions and dose-dependent inhibition of glutathione S-transferase placental form-positive hepatocellular foci in rats. The compound is used in research to investigate its potential anticancer properties. It contributes to the characteristic flavor and aroma of Allium species. The compound's biological activities including antimicrobial, antifungal, and antioxidant properties make it of interest in food chemistry and pharmacological research. It is intended for research and analytical applications only. |
| Molecular Formula |
C4H10S2
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| Molecular Weight |
122.25
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| Exact Mass |
122.022
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| CAS # |
2179-60-4
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| PubChem CID |
16592
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
154.1±0.0 °C at 760 mmHg
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| Flash Point |
42.8±0.0 °C
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| Vapour Pressure |
4.1±0.2 mmHg at 25°C
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| Index of Refraction |
1.509
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| LogP |
2.83
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
6
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| Complexity |
21.5
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C([H])([H])C([H])([H])C([H])([H])[H])SC([H])([H])[H]
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| InChi Key |
PUCHCUYBORIUSM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3
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| Chemical Name |
1-(methyldisulfanyl)propane
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| Synonyms |
Methyl propyl disulfide
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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) |
DMSO: 100 mg/mL (818.00 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.45 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (20.45 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (20.45 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.1800 mL | 40.8998 mL | 81.7996 mL | |
| 5 mM | 1.6360 mL | 8.1800 mL | 16.3599 mL | |
| 10 mM | 0.8180 mL | 4.0900 mL | 8.1800 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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