Novel pyranopyrazole derivatives comprising a benzoxazole core as antimicrobial inhibitors: design, synthesis, microbial resistance and machine aided results was written by Reddy, Guda Mallikarjuna;Kumari, Avula Krishna;Reddy, Vemulapati Hanuman;Garcia, Jarem Raul. And the article was included in Bioorganic Chemistry in 2020.Reference of 638-07-3 The following contents are mentioned in the article:
The synthesis of pyranopyrazoles I (R = Ph, 2-MeC6H4, 4-O2NC6H4, etc.) comprising benzoxazole moiety by green approach strategy is reported and their antimicrobial performance on four bacteria and two fungi was studied. Most of the compounds delivered reliable toxicity to kill the pathogens. Among these compounds, the compound I (R = 2-MeC6H4) exhibited considerable activity against the microbial pathogens. Moreover, compounds I (R = Ph, 2-MeOC6H4, 4-HOC6H4) showed prominent antibacterial activity. In addition, mol. docking studies of docked compounds revealed the strong bonding interaction with DNA-gyrase and were docked into the intercalation location of DNA of the DNA-gyrase complex. The mol. bounded to the DNA was stabilized by the H bonds, hydrophobic interactions and π-π interaction. In addition, the linked 5-chlorobenzoxazole structure was stabilized by the DT-8 and DG2009 of the F chain with pi-pi interactions. From the computer-aided results, it was observed that compound I (R = 2-MeC6H4) demonstrated maximum docking score -10.0 kcal/mol towards DNA-gyrase. Overall, this investigation suggests that these biol. active compounds can be utilized as led for preclin. studies with the goal of developing newer antimicrobial drugs. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Reference of 638-07-3).
Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Reference of 638-07-3
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics