| 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.
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|---|---|
| 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.
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| 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.
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| 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.
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| 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.
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| 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.
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| 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. |
| Molecular Formula |
C6H12N2O4S2
|
|---|---|
| Molecular Weight |
240.30
|
| Exact Mass |
240.024
|
| CAS # |
119752-83-9
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| PubChem CID |
75176251
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| 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
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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: 1.96 mg/mL (8.16 mM)
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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 | 4.1615 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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