19241-20-4

Usage

Uses

Used in Pharmaceutical Industry:
3-Ethylphenyl isothiocyanate is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs. Its unique chemical structure allows it to be a building block in the creation of therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Ethylphenyl isothiocyanate is utilized as a precursor in the production of various agrochemicals, potentially contributing to the development of pesticides or other agricultural chemicals that can enhance crop protection and yield.
Used in Organic Chemistry Research:
3-Ethylphenyl isothiocyanate is employed as a reagent in organic chemistry reactions, particularly for the synthesis of heterocyclic compounds, which are important in various fields such as medicine, dyes, and materials science, due to their diverse chemical and biological properties.

InChI:InChI=1/C6H12O2/c1-7-5-6-3-2-4-8-6/h6H,2-5H2,1H3

Upstream product

• 463-71-8 thiophosgene 
• 587-02-0 m-ethylaniline 
• 16420-13-6 N,N-Dimethylthiocarbamoyl chloride 

Downstream Products

• 901375-61-9 3-ethylphenylthiourea 
• 953777-22-5 6-amino-1-(3-ethylphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 
• 953777-24-7 5,6-diamino-1-(3-ethylphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 
• 953777-23-6 6-amino-1-(3-ethylphenyl)-5-nitroso-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 

Relevant academic research and scientific papers

Design, synthesis, biological activities, and dynamic simulation study of novel thiourea derivatives with gibberellin activity towards Arabidopsis thaliana

Computer-aided drug design has advanced by leaps and bounds, and has been widely used in various fields, and especially in the field of drug discovery. Although the crystal structure of the gibberellin (GA) receptor GID1A had been reported in previous studies, there is still a lack of designs of gibberellin functional analogue based GID1A. In the present study, a series of 30 thiourea derivatives were designed, synthesized and biologically assayed. The results suggested that the synthetic compounds had good GA-like activities. Furthermore, the structure-activity relationship of the synthetic compounds was discussed, and the dynamic simulation and docking study revealed the binding properties of the GID1A receptor and compounds Y1, Y11, and Y21.

Inhibitors of the Diadenosine Tetraphosphate Phosphorylase Rv2613c of Mycobacterium tuberculosis

The intracellular concentration of diadenosine tetraphospate (Ap4A) increases upon exposure to stress conditions. Despite being discovered over 50 years ago, the cellular functions of Ap4A are still enigmatic. If and how the varied Ap4A is a signal and involved in the signaling pathways leading to an appropriate cellular response remain to be discovered. Because the turnover of Ap4A by Ap4A cleaving enzymes is rapid, small molecule inhibitors for these enzymes would provide tools for the more detailed study of the role of Ap4A. Here, we describe the development of a high-throughput screening assay based on a fluorogenic Ap4A substrate for the identification and optimization of small molecule inhibitors for Ap4A cleaving enzymes. As proof-of-concept we screened a library of over 42, 000 compounds toward their inhibitory activity against the Ap4A phosphorylase (Rv2613c) of Mycobacterium tuberculosis (Mtb). A sulfanylacrylonitril derivative with an IC50 of 260 ± 50 nM in vitro was identified. Multiple derivatives were synthesized to further optimize their properties with respect to their in vitro IC50 values and their cytotoxicity against human cells (HeLa). In addition, we selected two hits to study their antimycobacterial activity against virulent Mtb to show that they might be candidates for further development of antimycobacterial agents against multidrug-resistant Mtb.