| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Dibenzyl disulfide does not have a well-defined pharmacological target, as it is primarily an industrial chemical and metabolite. It may interact with various enzymes and receptors as a xenobiotic, but its specific binding targets have not been fully characterized. The compound's disulfide bond makes it reactive and capable of undergoing thiol-disulfide exchange reactions with biological thiols. It is not used as a therapeutic agent.
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|---|---|
| ln Vitro |
Dibenzyl disulfide does not possess significant pharmacological activity as a pure compound in typical in vitro assays, as it is primarily used as an industrial chemical. Studies may involve evaluating its reactivity in organic synthesis or its presence as a metabolite in biological samples. The compound, along with other sulfur-containing compounds found in plants, displays antibacterial and antifungal activity. However, detailed in vitro activity data are limited.
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| ln Vivo |
In vivo activity of Dibenzyl disulfide is related to its role as a metabolite. It is found in Petiveria alliacea and may have biological effects in plants or animals. However, the compound is not used therapeutically, and comprehensive in vivo studies evaluating its pharmacokinetic properties, efficacy, and safety are limited. Its toxicity profile is primarily related to its use as an industrial chemical.
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| Enzyme Assay |
In vitro enzyme/receptor binding experiments for Dibenzyl disulfide are not typical, as it is an industrial chemical rather than a pharmacologically active compound. Studies may involve measuring its reactivity with various reagents or its presence as a metabolite in biological samples. Its chemical properties are characterized using standard analytical methods such as GC and HPLC. The compound is also used as a reference standard in analytical chemistry.
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| Cell Assay |
In vitro cellular experiments for Dibenzyl disulfide are not typical, as it is an industrial chemical rather than a pharmacologically active compound. The compound may be used in studies to evaluate its cytotoxicity or its metabolism in cell lines. However, comprehensive in vitro cellular studies are limited. The compound's disulfide bond can react with cellular thiols, which may contribute to its biological effects.
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| Animal Protocol |
In vivo animal experiments for Dibenzyl disulfide are not typical, as it is an industrial chemical rather than a drug candidate. Studies may involve administering the compound to animals to study its metabolism or toxicity. The compound is known to cause copper corrosion in transformers under certain circumstances. Comprehensive in vivo studies evaluating its pharmacokinetic properties are limited.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Dibenzyl disulfide have not been extensively characterized. With a molecular weight of 246.39 and high lipophilicity, the compound is expected to be absorbed and distributed. It is practically insoluble in water and soluble in most organic solvents. It has a melting point of 70-73°C and a boiling point of >270°C (decomposes). Detailed pharmacokinetic studies are limited.
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| Toxicity/Toxicokinetics |
Toxicological data for Dibenzyl disulfide indicate that it may be an irritant. As a sulfur-containing compound, it may release toxic gases upon decomposition. The compound should be handled with care, and standard safety protocols for handling disulfides should be followed, including the use of personal protective equipment and working in a well-ventilated area. The toxicological properties of this substance have not been fully investigated.
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| Additional Infomation |
Dibenzyl disulfide is an organic disulfide formed by the oxidative dimerization of benzyl mercaptan. It is a metabolite. It is both an organic disulfide and an organic aromatic compound. Dibenzyl disulfide has been reported to be detected in shallots (Petiveria alliacea), and relevant data are available for reference.
Dibenzyl disulfide is a research chemical that has not entered clinical trials or received regulatory approval for therapeutic use. It is primarily used as an industrial chemical in lubricating oil formulations, rubber compounding, and as a stabilizer for petroleum fractions. The compound is also a metabolite and is known as DBDS. Its antibacterial and antifungal activities make it a compound of interest for further research. |
| Molecular Formula |
C14H14S2
|
|---|---|
| Molecular Weight |
246.39096
|
| Exact Mass |
246.053
|
| CAS # |
150-60-7
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| PubChem CID |
9012
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
367.3±31.0 °C at 760 mmHg
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| Melting Point |
69-72 °C(lit.)
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| Flash Point |
217.2±26.4 °C
|
| Vapour Pressure |
0.0±0.8 mmHg at 25°C
|
| Index of Refraction |
1.643
|
| LogP |
5.35
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
16
|
| Complexity |
150
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
GVPWHKZIJBODOX-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
|
| Chemical Name |
(benzyldisulfanyl)methylbenzene
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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 (~405.86 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.15 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 (10.15 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 (10.15 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 | 4.0586 mL | 20.2930 mL | 40.5861 mL | |
| 5 mM | 0.8117 mL | 4.0586 mL | 8.1172 mL | |
| 10 mM | 0.4059 mL | 2.0293 mL | 4.0586 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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