Topological pattern for the search of new active drugs against methicillin resistant Staphylococcus aureus was written by Bueso-Bordils, Jose I.;Perez-Gracia, Maria T.;Suay-Garcia, Beatriz;Duart, Maria J.;Martin Algarra, Rafael V.;Lahuerta Zamora, Luis;Anton-Fos, Gerardo M.;Aleman Lopez, Pedro A.. And the article was included in European Journal of Medicinal Chemistry in 2017.SDS of cas: 2328-12-3 This article mentions the following:
Mol. topol. was used to develop a math. model capable of classifying compounds according to antimicrobial activity against methicillin resistant Staphylococcus aureus (MRSA). Topol. indexes were used as structural descriptors and their relation to antimicrobial activity was determined by using linear discriminant anal. This topol. model establishes new structure activity relationships which show that the presence of cyclopropyl, chlorine and ramification pairs at a distance of two bonds favor this activity, while the presence of tertiary amines decreases it. This model was applied to a combinatorial library of a thousand and one 6-fluoroquinolones, from which 117 theor. active mols. were obtained. The compound 10 and five new quinolones were tested against MRSA. They all showed some activity against MRSA, although compounds 6, 8 and 9 showed anti-MRSA activity similar to ciprofloxacin. This model was also applied to 263 theor. antibacterial agents described by the authors in a previous work, from which 34 were predicted as theor. active. Anti-MRSA activity was found bibliog. in 9 of them (ensuring at least 26% of success), and from the rest, 3 compounds were randomly chosen and tested, finding mitomycin C to be more active than ciprofloxacin. The results demonstrate the utility of the mol. topol. approaches for identifying new drugs active against MRSA. In the experiment, the researchers used many compounds, for example, 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (cas: 2328-12-3SDS of cas: 2328-12-3).
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (cas: 2328-12-3) belongs to tetrahydroisoquinoline derivatives. Tetrahydroisoquinoline, as a secondary amine, tetrahydroisoquinoline has weakly basic properties and forms salts with strong acids. Tetrahydroisoquinoline derivatives may be formed in the body as metabolites of some drugs, and this was once thought to be involved in the development of alcoholism.This is no longer generally accepted by the scientific community.SDS of cas: 2328-12-3
Referemce:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem