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| Other Sizes |
| Targets |
Burgess reagent does not have a biological target; it is a chemical reagent. Its "target" is the functional group of a substrate molecule in an organic synthesis reaction. It specifically reacts with secondary and tertiary alcohols to form alkenes. It is also used for the dehydration of primary amides and as a source of heteroatoms (N, O, S) in synthesis.
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|---|---|
| ln Vitro |
In organic chemistry, Burgess' reagent is a mild, selective dehydrator that is frequently utilized.
Burgess reagent has no biological in vitro activity. Its chemical activity is demonstrated in organic synthesis. It achieves high yields in alcohol dehydration and thiol oxidation. For example, it produces a 2.4× higher disulfide yield compared to sulfuryl chloride in thiol oxidation. It also achieves 94% yield for alcohol-to-aldehyde conversion in DMSO. |
| ln Vivo |
Burgess reagent is not used in in vivo biological studies. Its applications are in synthetic organic chemistry, including medicinal chemistry and natural product synthesis. It is used to synthesize complex molecules where functional group compatibility is critical and acidic or basic conditions would cause side reactions.
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| Enzyme Assay |
Non-cellular assays are not applicable as Burgess reagent is not a biologically active compound. Its "activity" is assessed in chemical reactions. A typical protocol involves dissolving the alcohol substrate in an anhydrous solvent (e.g., THF) and adding Burgess reagent. The reaction is stirred at room temperature or slightly elevated temperatures, and the formation of the alkene product is monitored by TLC or NMR.
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| Cell Assay |
Burgess reagent is not used in cell-based assays. Its role is purely as a chemical reagent for organic synthesis. If it is used to synthesize a compound that is later tested in cells, the reagent itself is not present in the final product after workup and purification. It is moisture-sensitive and should be stored at -20°C under nitrogen.
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| Animal Protocol |
In vivo animal experiments do not involve Burgess reagent as a test article. It is a research chemical used in the synthesis of potential drug candidates. Its safety data is relevant only for laboratory handling. It is not intended for human or veterinary use.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to Burgess reagent as it is not a drug. It is a reactive chemical reagent that is consumed in chemical reactions. Its physical properties include a molecular weight of 238.31 g/mol and a melting point of 71-72°C. It is moisture-sensitive and must be stored under anhydrous conditions.
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| Toxicity/Toxicokinetics |
Toxicological data for Burgess reagent is related to its handling as a laboratory chemical. It is a reactive compound and should be treated as a potential irritant and sensitizer. Specific LD50 values are not typically reported. Standard laboratory safety practices, including the use of PPE and working in a fume hood, should be followed.
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| Additional Infomation |
Burgess reagent is a mild and selective dehydrating agent that is highly valued in complex organic synthesis for its ability to perform dehydrations under neutral conditions. Its stereospecific syn-elimination mechanism allows for predictable alkene geometry, which is critical in total synthesis. It is not a pharmaceutical and has no clinical trials or approved therapeutic status.
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| Molecular Formula |
C8H18N2O4S
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|---|---|
| Molecular Weight |
238.30
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| Exact Mass |
238.098
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| CAS # |
29684-56-8
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| PubChem CID |
2724994
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| Appearance |
White to light yellow solid powder
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| Melting Point |
76-79 °C(lit.)
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| LogP |
2.328
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
15
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| Complexity |
306
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC[N+](CC)(CC)S(=O)(=O)/N=C(\\[O-])/OC
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| InChi Key |
YSHOWEKUVWPFNR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H18N2O4S/c1-5-10(6-2,7-3)15(12,13)9-8(11)14-4/h5-7H2,1-4H3
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| Chemical Name |
1-methoxy-N-(triethylazaniumyl)sulfonylmethanimidate
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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 (419.64 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 | 4.1964 mL | 20.9820 mL | 41.9639 mL | |
| 5 mM | 0.8393 mL | 4.1964 mL | 8.3928 mL | |
| 10 mM | 0.4196 mL | 2.0982 mL | 4.1964 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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