946-50-9

Usage

Uses

Used in Pharmaceutical Industry:
S-(4-nitro-benzyl)-isothiourea is used as a pharmaceutical compound for its potential anti-cancer and anti-inflammatory activities. Its unique structure allows it to interact with various biological targets, making it a promising candidate for the development of new drugs to treat cancer and inflammation-related diseases.
Used in Medicinal Chemistry Research:
S-(4-nitro-benzyl)-isothiourea is used as a research compound in the field of medicinal chemistry. Its structure and properties are being investigated to understand its pharmacological activities and to develop new drugs with improved efficacy and safety profiles.
Used in Drug Development:
S-(4-nitro-benzyl)-isothiourea is used as a starting material or a building block in the synthesis of new drug candidates. Its unique chemical structure can be modified to create novel compounds with potential therapeutic applications in various diseases, including cancer and inflammatory conditions.

Upstream product

• 17356-08-0 thiourea 
• 100-14-1 4-nitrobenzyl chloride 
• 100-11-8 1-bromomethyl-4-nitro-benzene 

Downstream Products

• 82557-28-6 1-(2-Methyl-5,6-dihydro-[1,4]oxathiine-3-carbonyl)-2-(4-nitro-benzyl)-isothiourea 
• 82552-13-4 5-(2-Hydroxy-ethylsulfanyl)-6-methyl-2-(4-nitro-benzylsulfanyl)-3H-pyrimidin-4-one 

Relevant academic research and scientific papers

Structure-activity relationships and pharmacokinetic parameters of quinoline acylsulfonamides as potent and selective antagonists of the EP4 receptor

A new series of EP4 antagonists based on a quinoline acylsulfonamide scaffold have been identified as part of our on-going efforts to develop treatments for chronic inflammation. These compounds show subnanomolar intrinsic binding potency towar

Correlation analysis in the benzylation of sulfur nucleophiles

In the nucleophilic substitution reaction of benzyl bromides with three sulfur nucleophiles a linear relationship between the nucleophile discrimination parameter (s) and the Hammett substituent constant (σ) is observed.

Structure-activity relationship study of the bacterial actin-like protein MreB inhibitors: Effects of substitution of benzyl group in S-benzylisothiourea

We comprehensively investigated the effects of substitution of the benzyl group in S-benzylisothiourea derivatives on antibacterial activity, because we found previously that some substitutions enhanced it. A 2,4-Cl 2-derivative was found to be the most effective compound, it was stronger than the original one in Gram-negative rod shaped-bacteria such as Escherichia coli and Salmonella typhimurium.

Solvent-solute interactions in the reaction between p-NO2-benzyl bromide and thiourea - A kinetic study

The reaction between p-NO2, benzyl bromide and thiourea has been studied in different protic and dipolar aprotic solvents. The reaction is overall second order. Correlation of rate data with different solvent parameters indicates that, the reaction rate is simultaneously influenced by polarity and hydrogen bond donor and acceptor abilities of the solvent. From the linears multiple regression analysis, information regarding the relative solvation of the reactants and the transition state is obtained and the solvation model is proposed.