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| Other Sizes |
| Targets |
1,3-Dithiane does not have a specific, well-defined pharmacological target. Its mechanism of action and biological targets are not fully understood. However, it has been shown to have anticancer activity in mice and rats, likely via the formation of reactive oxygen species (ROS) and subsequent DNA damage. It can act as a nucleophile, a reducing agent, and a ligand for metal ions. Its biological effects are thought to be related to its ability to generate ROS and interact with cellular macromolecules.
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| ln Vitro |
1,3-Dithiane exhibits potent in vitro activity as a direct-acting mutagen, particularly against Salmonella typhimurium TA98 and TA100. It has also been shown to have antitumor, antiviral, and antibacterial activities. Its anticancer activity is believed to be mediated through the formation of reactive oxygen species and subsequent DNA damage. These in vitro activities confirm its potential as a research tool for studying mutagenesis and anticancer mechanisms.
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| ln Vivo |
In vivo, 1,3-dithiane has demonstrated anticancer activity in mice and rats. Its mechanism involves the formation of reactive oxygen species and DNA damage. As a Maillard reaction product found in food, it may also have implications for food safety and toxicology. However, it is not used as a therapeutic agent. Its in vivo effects are primarily studied in the context of toxicology and cancer research.
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| Enzyme Assay |
In vitro assays for 1,3-dithiane typically involve measuring its mutagenic activity using the Ames test (Salmonella typhimurium TA98 and TA100). Antitumor activity is assessed in cancer cell lines using cell viability assays (e.g., MTT) and by measuring apoptosis markers (e.g., caspase activation, ROS production). Antibacterial activity is evaluated using standard broth microdilution methods to determine the minimum inhibitory concentration (MIC).
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| Cell Assay |
In vitro cellular assays for 1,3-dithiane are conducted in cancer cell lines to assess its antitumor activity. Cells are treated with the compound at various concentrations, and cell viability is measured using MTT or CellTiter-Glo assays. ROS production is measured using fluorescent dyes such as DCFH-DA. DNA damage is assessed using comet assays or γ-H2AX staining. Apoptosis is evaluated by measuring caspase activity or Annexin V staining.
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| Animal Protocol |
In vivo animal experiments with 1,3-dithiane are conducted in mouse and rat models of cancer. The compound is administered via intraperitoneal injection or oral gavage at various doses. Tumor growth is monitored, and tumor tissues are harvested for analysis of ROS production, DNA damage, and apoptosis markers. These studies evaluate the compound's anticancer efficacy and mechanism of action.
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| ADME/Pharmacokinetics |
1,3-Dithiane is a small, lipophilic molecule with a molecular weight of 120.24 and a molecular formula of C4H8S2. It is soluble in organic solvents. Its pharmacokinetic properties have not been extensively characterized. The compound is typically stored at room temperature. Its role as a synthetic intermediate in organic chemistry is more prominent than its pharmacological applications.
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| Toxicity/Toxicokinetics |
1,3-Dithiane is considered to have mutagenic potential based on its activity in the Ames test. Comprehensive toxicological evaluations have not been extensively published. The compound is intended for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
1,3-Dithiane is a dithiane. 1,3-Dithiane has been reported in garlic and data are available.
1,3-Dithiane is a sulfur-containing heterocyclic compound used as a protected formaldehyde anion equivalent in organic synthesis. It is a Maillard reaction product found in boiled beef extracts. The compound exhibits potent mutagenic, antitumor, antiviral, and antibacterial activities. Its anticancer mechanism involves ROS formation and DNA damage. It is also known as 1,3-dithian. |
| Molecular Formula |
C₄H₈S₂
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|---|---|
| Molecular Weight |
120.24
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| Exact Mass |
120.006
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| CAS # |
505-23-7
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| PubChem CID |
10451
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
195.0±23.0 °C at 760 mmHg
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| Melting Point |
52-54 °C(lit.)
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| Flash Point |
90.6±0.0 °C
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| Vapour Pressure |
0.6±0.4 mmHg at 25°C
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| Index of Refraction |
1.574
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| LogP |
1.14
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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 |
0
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| Heavy Atom Count |
6
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| Complexity |
32.5
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
WQADWIOXOXRPLN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2
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| Chemical Name |
1,3-dithiane
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| Synonyms |
1,3Dithiane; 1,3 Dithiane
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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. |
| 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 (~831.67 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.79 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 (20.79 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 (20.79 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 | 8.3167 mL | 41.5835 mL | 83.1670 mL | |
| 5 mM | 1.6633 mL | 8.3167 mL | 16.6334 mL | |
| 10 mM | 0.8317 mL | 4.1583 mL | 8.3167 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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