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| Other Sizes |
| Targets |
1-Tosylimidazole does not have a defined pharmacological target. It is a chemical reagent used for the selective tosylation of alcohols and amines in organic synthesis. The compound is employed in the modification of biomolecules, such as proteins and nucleic acids, to study their structure and function. It is also utilized in the synthesis of pharmaceutical intermediates and active pharmaceutical ingredients.
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| ln Vitro |
In vitro, 1-tosylimidazole is primarily used as a chemical reagent for organic synthesis and bioconjugation. It is used for the selective tosylation of alcohols and amines. The compound is employed in the modification of biomolecules, such as proteins and nucleic acids, to study their structure and function. It is also used in the synthesis of pharmaceutical intermediates and active pharmaceutical ingredients.
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| ln Vivo |
In vivo data for 1-tosylimidazole are not available, as the compound is a chemical reagent used for in vitro applications. It is not intended for in vivo administration and has no established in vivo pharmacokinetic or pharmacodynamic profile. The compound is not designed for therapeutic use.
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| Enzyme Assay |
For in vitro chemical synthesis, 1-tosylimidazole is used as a reagent for the selective tosylation of alcohols and amines. Standard protocols involve dissolving the compound in anhydrous solvent (e.g., DCM, pyridine) and adding it to the substrate at 0-25°C. The reaction is monitored by TLC and the tosylated product is isolated by standard workup procedures. The compound is also used in the synthesis of cationic water-soluble cyclodextrins for chiral separation.
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| Cell Assay |
For in vitro cell-based experiments, 1-tosylimidazole is not typically used directly in cell culture. It is a chemical reagent used for organic synthesis and bioconjugation applications. 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 1-tosylimidazole are not applicable, as the compound is a chemical reagent used for in vitro organic synthesis and bioconjugation. 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 data for 1-tosylimidazole are not available, as the compound is not a drug and is not administered to living organisms. The compound has a molecular weight of 222.27 g/mol. As a tosylated imidazole, it is expected to be hydrolyzed or metabolized rapidly in biological systems. The compound is primarily used as a reagent rather than as a drug candidate.
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| Toxicity/Toxicokinetics |
1-Tosylimidazole is a research chemical and should be handled with appropriate laboratory safety precautions. As a sulfonyl compound, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
1-Tosylimidazole (1-(p-toluenesulfonyl)imidazole, CAS 2232-08-8) is primarily a research-grade chemical reagent, not an FDA-approved pharmaceutical drug. Its primary applications are as a reagent for the selective tosylation of alcohols and amines, for the modification of biomolecules to study their structure and function, and in the synthesis of pharmaceutical intermediates. No clinical trials or approved therapeutic indications exist for this compound.
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| Molecular Formula |
C10H10N2O2S
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|---|---|
| Molecular Weight |
222.26
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| Exact Mass |
222.046
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| CAS # |
2232-08-8
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| PubChem CID |
75219
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
409.1±38.0 °C at 760 mmHg
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| Melting Point |
76-78 °C(lit.)
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| Flash Point |
201.2±26.8 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.618
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| LogP |
1.4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
15
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| Complexity |
302
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(C)C=CC(S(N2C=CN=C2)(=O)=O)=CC=1
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| InChi Key |
YJYMYJRAQYREBT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H10N2O2S/c1-9-2-4-10(5-3-9)15(13,14)12-7-6-11-8-12/h2-8H,1H3
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| Chemical Name |
1-(4-methylphenyl)sulfonylimidazole
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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 | 4.4992 mL | 22.4962 mL | 44.9924 mL | |
| 5 mM | 0.8998 mL | 4.4992 mL | 8.9985 mL | |
| 10 mM | 0.4499 mL | 2.2496 mL | 4.4992 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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