| Size | Price | |
|---|---|---|
| Other Sizes |
Purity: ≥97%
| Targets |
Unlike a pharmaceutical or bioactive compound, DABSO does not have a biological target. It is strictly a synthetic organic chemistry reagent. Its "target" in a chemical context is to act as a surrogate for sulfur dioxide (SO₂) in various chemical transformations, such as the formation of sulfinates, sulfonamides, and sulfamides. It is a reagent, not a drug candidate.
This compound does not have a biological target, as it is a chemical reagent rather than a drug. Its role is purely synthetic, acting as a source of sulfur dioxide for various chemical transformations. The reagent is used to transfer SO2 to organic substrates, enabling the formation of carbon-sulfur bonds. It is not designed to interact with biological systems, and its utility is limited to the chemistry laboratory. |
|---|---|
| ln Vitro |
DABSO is not evaluated in standard biological assays. Its "activity" is defined by its chemical reactivity. It efficiently reacts with Grignard reagents to generate sulfinate intermediates, which can be trapped with electrophiles like sulfuryl chloride and amines to yield sulfonamides. It also participates in copper(I)-catalyzed sulfonylative Suzuki-Miyaura cross-coupling reactions with aryl boronic acids to produce sulfones.
Biological in vitro activity is not applicable for DABSO, as it is not evaluated for pharmacological effects. Its "activity" is chemical, referring to its ability to release sulfur dioxide under reaction conditions. This property allows it to participate in reactions such as the synthesis of sulfonamides and sulfamides, which are important functional groups in many drug molecules. No in vitro potency or efficacy data exist for this reagent. |
| ln Vivo |
DABSO is not utilized in in vivo studies. Its application is exclusively confined to laboratory-scale organic synthesis; it is not formulated for or administered to living organisms. SDS documentation explicitly states the compound is harmful if swallowed, in contact with skin, or if inhaled.
No in vivo activity is reported for DABSO, as it is not intended for administration to living organisms. It is exclusively used as a laboratory reagent for chemical synthesis. Any in vivo effects would be associated with the final compounds synthesized using DABSO, not with the reagent itself. It is never tested in animal models for therapeutic or investigative purposes. |
| Enzyme Assay |
As a synthetic reagent, DABSO is not designed for enzyme or receptor binding studies. Its characterization relies on analytical chemistry techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and X-ray crystallography to confirm structure and purity, rather than biochemical assays.
In a typical synthetic procedure, DABSO is added as a solid to a reaction mixture containing the appropriate substrate, such as an amine or a halide, along with a base and a catalyst. The reaction is carried out in a suitable solvent, often at room temperature or with mild heating. The sulfur dioxide released from DABSO reacts with the substrate to form sulfonyl derivatives. The reaction progress is monitored by TLC or HPLC, and the product is isolated by standard workup and purification techniques. |
| Cell Assay |
There are no standard cell-based assays for DABSO. It is strictly a chemical tool used on the benchtop. Its utility is measured by reaction yield and purity of the resulting chemical products, not by cytotoxic or pharmacological effects on cell lines.
Cell-based assays are not conducted with DABSO, as it is a chemical reagent with no biological activity. Its use is confined to organic chemistry laboratories, and it is not added to cell culture media. Researchers focus on its chemical reactivity and stability, rather than any cellular effects. Consequently, no standard cellular protocols exist for this compound. |
| Animal Protocol |
Animal studies are not performed with DABSO, as it is not a drug candidate. Its purpose is to serve as a reagent for the synthesis of other compounds, which may later be tested in vivo. For example, sulfonamide drugs synthesized using DABSO are evaluated in animal models for their therapeutic efficacy. The reagent itself is never administered to animals.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties are not relevant for DABSO, as it is not a therapeutic agent. Its chemical properties, such as stability as a solid and ease of handling, are well characterized. It is bench-stable and can be stored under ambient conditions. Its solubility in common organic solvents facilitates its use in reactions. No absorption, distribution, metabolism, or excretion data are available, as it is not intended for biological exposure.
|
| Toxicity/Toxicokinetics |
DABSO poses several health hazards. It is classified as a flammable solid (H228) and is harmful if swallowed (H302), in contact with skin (H312), or if inhaled (H332). It causes skin irritation (H315), serious eye irritation (H319), and may cause respiratory irritation (H335). There is also a risk of acute and long-term harm to aquatic life (H402/H412). Standard safety measures include handling in a fume hood, avoiding dust formation, and wearing gloves and eye protection.
Toxicological data for DABSO are not typically detailed in general references, but as a sulfur dioxide source, it should be handled with care. Inhalation of released SO2 can be harmful, and the reagent may cause irritation to skin and eyes. Standard laboratory safety practices, including working in a fume hood and wearing appropriate protective equipment, are essential. A safety data sheet (SDS) should be consulted for specific hazard information. |
| Additional Infomation |
- Chemical Properties: DABSO has a molecular formula of C₆H₁₂N₂O₄S₂ and a molecular weight of 240.30 g/mol. Its melting point is approximately 180 °C (with decomposition).
- Handling: It is generally stored under an inert gas (e.g., argon) at low temperatures (0-10 °C) to prevent decomposition. - Research Use Only: This compound is strictly intended for research and development purposes. It is not approved for human or veterinary use as a drug or medicine. DABSO is a widely used reagent in organic synthesis, prized for its stability and convenience compared to hazardous gaseous SO2. It enables the safe and efficient introduction of sulfonyl functionalities into complex molecules, which is crucial for the synthesis of pharmaceuticals, agrochemicals, and functional materials. Its development has significantly simplified sulfonamide and sulfamide preparation, making it a valuable tool for medicinal chemists. |
| Molecular Formula |
C6H12N2O4S2
|
|---|---|
| Molecular Weight |
240.30
|
| Exact Mass |
240.024
|
| CAS # |
119752-83-9
|
| PubChem CID |
75176251
|
| Appearance |
White to off-white solid powder
|
| LogP |
0.314
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
14
|
| Complexity |
243
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
S([N+]12C([H])([H])C([H])([H])[N+](C([H])([H])C1([H])[H])(C([H])([H])C2([H])[H])S(=O)[O-])(=O)[O-]
|
| InChi Key |
RWISEVUOFYXWFO-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H12N2O4S2/c9-13(10)7-1-2-8(5-3-7,6-4-7)14(11)12/h1-6H2
|
| Chemical Name |
1,4-diazoniabicyclo[2.2.2]octane-1,4-disulfinate
|
| 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) |
DMSO: 1.96 mg/mL (8.16 mM)
|
|---|---|
| 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 | 4.1615 mL | 20.8073 mL | 41.6146 mL | |
| 5 mM | 0.8323 mL | 4.1615 mL | 8.3229 mL | |
| 10 mM | 0.4161 mL | 2.0807 mL | 4.1615 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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