| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Cyclopropanesulfonyl chloride does not have a defined pharmacological target of its own, as it is a synthetic intermediate. As a sulfonyl chloride, it serves as a reagent for the synthesis of sulfonamides, sulfonates, and other sulfonyl-containing compounds. The cyclopropyl group provides a rigid, three-dimensional scaffold for medicinal chemistry.
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|---|---|
| ln Vitro |
In vitro, cyclopropanesulfonyl chloride is primarily used as a chemical reagent and synthetic intermediate. It is a valuable reagent for the introduction of the cyclopropylsulfonyl group into organic molecules. The compound is used in the synthesis of sulfonamides, which are common motifs in pharmaceuticals and agrochemicals.
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| ln Vivo |
In vivo activity data for cyclopropanesulfonyl chloride itself are not available, as the compound is a chemical reagent used for synthesis. It is not intended for in vivo administration and has no established in vivo pharmacokinetic or pharmacodynamic profile.
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| Enzyme Assay |
For in vitro chemical synthesis, cyclopropanesulfonyl chloride is used as a reagent for the preparation of sulfonamides and other sulfonyl-containing compounds. Standard protocols involve reacting the sulfonyl chloride with amines to form sulfonamides or with alcohols to form sulfonates. The reaction is typically carried out in the presence of a base (e.g., pyridine, triethylamine) in an appropriate solvent.
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| Cell Assay |
For in vitro cell-based experiments, cyclopropanesulfonyl chloride is not typically used directly in cell culture. It is a chemical reagent used for organic synthesis. The compound may be used in the synthesis of compounds that are subsequently tested in cell-based assays, but it is not added directly to cell cultures as a test compound.
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| Animal Protocol |
In vivo animal studies for cyclopropanesulfonyl chloride are not applicable, as the compound is a chemical reagent used for synthesis. No animal studies have been conducted for this compound as a therapeutic agent, and it is not intended for diagnostic or therapeutic use in animals or humans.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of cyclopropanesulfonyl chloride as a standalone compound are not available, as it is not a drug and is not administered to living organisms. The compound has a molecular weight of 140.59 g/mol. As a reactive sulfonyl chloride, it would be rapidly hydrolyzed in aqueous environments.
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| Toxicity/Toxicokinetics |
Cyclopropanesulfonyl chloride is a research chemical and should be handled with appropriate laboratory safety precautions. As a sulfonyl chloride, it is corrosive and may cause severe skin and eye burns. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values and acute toxicity classifications are not available.
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| Additional Infomation |
Cyclopropanesulfonyl chloride (CAS 139631-62-2) is primarily a research-grade chemical reagent, not an FDA-approved pharmaceutical drug. Its primary application is as a reagent for the introduction of the cyclopropylsulfonyl group into organic molecules for the synthesis of sulfonamides and other compounds. No clinical trials or approved therapeutic indications exist.
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| Molecular Formula |
C3H5CLO2S
|
|---|---|
| Molecular Weight |
140.59
|
| Exact Mass |
139.969
|
| CAS # |
139631-62-2
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| PubChem CID |
2760919
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| Appearance |
Colorless to light yellow liquid（Density：1.38 g/cm3）
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
198.5±7.0 °C at 760 mmHg
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| Flash Point |
73.9±18.2 °C
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| Vapour Pressure |
0.5±0.4 mmHg at 25°C
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| Index of Refraction |
1.513
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| LogP |
0.6
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
7
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| Complexity |
150
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
ClS(C1([H])C([H])([H])C1([H])[H])(=O)=O
|
| InChi Key |
PFWWSGFPICCWGU-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C3H5ClO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2
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| Chemical Name |
cyclopropanesulfonyl chloride
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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, 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 (711.29 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.78 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 (17.78 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 (17.78 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 | 7.1129 mL | 35.5644 mL | 71.1288 mL | |
| 5 mM | 1.4226 mL | 7.1129 mL | 14.2258 mL | |
| 10 mM | 0.7113 mL | 3.5564 mL | 7.1129 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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