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| Other Sizes |
| Targets |
Coumarin-6-sulfonyl chloride does not have a specific biological target itself but serves as a derivatizing agent for amines and phenols. The sulfonyl chloride group reacts with primary and secondary amines to form sulfonamides, and with phenols to form sulfonate esters. These derivatives can be used for the detection and quantification of amines and phenols in various samples. The coumarin fluorophore allows for fluorescence-based detection of the derivatized products.
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| ln Vitro |
In vitro activity is not assessed for this compound in a pharmacological context, as it is used as a derivatizing reagent. Its reactivity is characterized by its ability to react with nucleophilic groups such as amines and phenols under mild conditions. The compound's coumarin core provides intrinsic fluorescence, making the derivatives detectable by fluorescence spectroscopy. This property is exploited in analytical chemistry for the sensitive detection of target molecules.
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| ln Vivo |
In vivo biological activity is not applicable for this compound, as it is a chemical reagent used in synthesis and derivatization rather than a therapeutic agent. Its applications are confined to laboratory research and chemical synthesis. No in vivo efficacy or pharmacological studies in animal models are available. The compound is not designed for systemic administration.
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| Enzyme Assay |
Non-cellular experiments for Coumarin-6-sulfonyl chloride typically involve its use as a derivatizing agent. A typical protocol includes dissolving the compound in an appropriate solvent (e.g., acetonitrile or DMF) and adding it to a solution containing the amine or phenol of interest. The reaction proceeds at room temperature or slightly elevated temperature, and the product is isolated by extraction or chromatography. The fluorescent derivatives can be analyzed by HPLC with fluorescence detection.
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| Cell Assay |
Cell-based assays are not applicable for this compound, as it is a chemical reagent used in synthesis and derivatization rather than a pharmacological agent. It is not tested in cell culture models for biological activity. The compound is used exclusively in chemical research and analytical chemistry. Researchers should handle this compound with appropriate safety precautions.
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| Animal Protocol |
In vivo animal studies are not performed with this compound in a therapeutic context. Its applications are confined to chemical synthesis and analytical chemistry. No efficacy or safety studies in animal models are available. The compound is not intended for human or veterinary use. Researchers should consult safety data sheets for handling and disposal guidelines.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not characterized for this compound, as it is a chemical reagent rather than a therapeutic agent. Its molecular weight is 244.65 g/mol, and it has a melting point of 119-120°C. The compound is soluble in organic solvents. No data on absorption, distribution, metabolism, or excretion are available.
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| Toxicity/Toxicokinetics |
Toxicological data for this compound are limited. Sulfonyl chlorides can be corrosive and should be handled with appropriate safety precautions. The compound may cause severe skin burns and eye damage. It is stable under recommended storage conditions. No carcinogenic or reproductive toxicity data are available. Researchers should consult the safety data sheet for specific hazard information and handling guidelines. The compound is not intended for human use.
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| Additional Infomation |
Structure in the first source
Coumarin-6-sulfonyl chloride is a fluorescent derivatizing agent for amines and phenols. Its CAS number is 10543-42-7. The compound is available with a purity of ≥98% from various suppliers. It is used in organic synthesis, drug discovery, and analytical chemistry. The compound is not approved for therapeutic use but is an important tool for chemical research. It should be stored in a cool, dry place protected from moisture. |
| Molecular Formula |
C9H5CLO4S
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|---|---|
| Molecular Weight |
244.65
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| Exact Mass |
243.96
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| CAS # |
10543-42-7
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| PubChem CID |
2735833
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| Appearance |
White to off-white solid powder
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| Density |
1.591g/cm3
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| Boiling Point |
431.6ºC at 760mmHg
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| Melting Point |
110-113ºC
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| Vapour Pressure |
1.19E-07mmHg at 25°C
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| Index of Refraction |
1.619
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| LogP |
2.801
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
15
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| Complexity |
395
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC(=O)OC2=CC=C(C=C12)S(=O)(=O)Cl
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| InChi Key |
HQIPMBGUDSOVEA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H5ClO4S/c10-15(12,13)7-2-3-8-6(5-7)1-4-9(11)14-8/h1-5H
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| Chemical Name |
2-oxochromene-6-sulfonyl 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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 4.0875 mL | 20.4374 mL | 40.8747 mL | |
| 5 mM | 0.8175 mL | 4.0875 mL | 8.1749 mL | |
| 10 mM | 0.4087 mL | 2.0437 mL | 4.0875 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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