99421-13-3

Usage

Uses

Used in Pharmaceutical Industry:
(3-Chloro-quinoxalin-2-yl)-ethyl-amine is used as a building block for the synthesis of more complex organic molecules, particularly in the development of pharmaceutical compounds. Its unique structure and potential biological activity make it a valuable component in the creation of new drugs and therapeutic agents.
Used in Chemical Industry:
(3-Chloro-quinoxalin-2-yl)-ethyl-amine is used as a chemical intermediate in the synthesis of various organic compounds. Its reactivity and functional groups allow it to be incorporated into a wide range of chemical reactions, making it a versatile component in the production of specialty chemicals and materials.
Used in Research and Development:
(3-Chloro-quinoxalin-2-yl)-ethyl-amine is used as a research compound in the study of chemical reactions and the development of new synthetic methods. Its unique properties and potential applications make it an interesting subject for scientific investigation and the advancement of chemical knowledge.

Upstream product

• 2213-63-0 2,3-dichloroquinoxaline 
• 75-04-7 ethylamine 
• 95-54-5 1,2-diamino-benzene 
• 15804-19-0 quinoxaline-2,3-dione 

Relevant academic research and scientific papers

Anti-MRSA drug discovery by ligand-based virtual screening and biological evaluation

S. aureus resistant to methicillin (MRSA) is one of the most-concerned multidrug resistant bacteria, due to its role in life-threatening infections. There is an urgent need to develop new antibiotics against MRSA. In this study, we firstly compiled a data set of 2,3-diaminoquinoxalines by chemical synthesis and antibacterial screening against S. aureus, and then performed cheminformatics modeling and virtual screening. The compound with the Specs ID of AG-205/33156020 was discovered as a new antibacterial agent, and was further identified as a Gyrase B (GyrB) inhibitor. In light of the common features, we hypothesized that the 6c as the representative of 2,3-diaminoquinoxalines also inhibited GyrB and eventually proved it. Via molecular docking and molecular dynamics simulations, we identified binding modes of AG-205/33156020 and 6c to the ATPase domain of GyrB. Importantly, these GyrB inhibitors inhibited the MRSA strains and showed selectivity to HepG2 and HUVEC. Taken together, this research work provides an effective ligand-based computational workflow for scaffold hopping in anti-MRSA drug discovery, and discovers two new GyrB inhibitors that are worthy of further development.

1,2,3-Triazoles based 3-substituted 2-thioquinoxalines: Synthesis, anti-bacterial activities, and molecular docking studies

New 1,2,3-triazoles based on 3-Substituted 2-thioquinoxalines were synthesized via a copper-catalyzed click reaction. The new 1,2,3-triazoles were screened for their in vitro antibacterial activities and were subjected to molecular docking studies. The starting materials included, 3-substituted-2-propargylthioquinoxalines were prepared from 2,3-dichloroquinoxaline, aliphatic amines, sodium sulfide, and propargyl bromide. The click of 2-propargythioquinoxalines with aryl azides catalyzed by copper(II) salen complex afforded novel 1,2,3-triazole-linked thioquinoxalines derivatives. The use of salen copper(II) complex as a catalyst, increased the reaction rate and reduced the loading of the toxic copper species. Results obtained from the in vitro anti-bacterial activities of the synthesized compounds revealed that compounds 7e, 7g, and 7k are active against Bacillus subtilis and Micrococcus luteus bacteria. Furthermore, in silico molecular docking results stipulated a sign of good correlation between experimental activity and calculated binding affinity. Docking studies proved 7e as the most potent compound. In addition, the binding maps exhibited activities that may attribute to the existence of electron donating and lipophilic group at para position of phenyl ring and hydrophobic interactions and hydrogen bond with the protein active sites.