In 2022,Bui, Hue Thi Buu; Nguyen, Phuong Hong; Pham, Quan Minh; Tran, Hoa Phuong; Tran, De Quang; Jung, Hosun; Hong, Quang Vinh; Nguyen, Quoc Cuong; Nguyen, Quy Phu; Le, Hieu Trong; Yang, Su-Geun published an article in Molecules. The title of the article was 《Target Design of Novel Histone Deacetylase 6 Selective Inhibitors with 2-Mercaptoquinazolinone as the Cap Moiety》.Computed Properties of C7H13BrO2 The author mentioned the following in the article:
Epigenetic alterations found in all human cancers are promising targets for anticancer therapy. In this sense, histone deacetylase inhibitors (HDACIs) are interesting anticancer agents that play an important role in the epigenetic regulation of cancer cells. Here, we report 15 novel hydroxamic acid-based histone deacetylase inhibitors with quinazolinone core structures. Five compounds exhibited antiproliferative activity with IC50 values of 3.4-37.8μM. Compound 8 with a 2-mercaptoquinazolinone cap moiety displayed the highest antiproliferative efficacy against MCF-7 cells. For the HDAC6 target selectivity study, compound 8 displayed an IC50 value of 2.3μM, which is 29.3 times higher than those of HDAC3, HDAC4, HDAC8, and HDAC11. Western blot assay proved that compound 8 strongly inhibited tubulin acetylation, a substrate of HDAC6. Compound 8 also displayed stronger inhibition activity against HDAC11 than the control drug Belinostat. The inhibitory mechanism of action of compound 8 on HDAC enzymes was then explored using mol. docking study. The data revealed a high binding affinity (-7.92 kcal/mol) of compound 8 toward HDAC6. In addition, dock pose anal. also proved that compound 8 might serve as a potent inhibitor of HDAC11. The experimental part of the paper was very detailed, including the reaction process of Ethyl 5-bromovalerate(cas: 14660-52-7Computed Properties of C7H13BrO2)
Ethyl 5-bromovalerate(cas: 14660-52-7) belongs to bromides. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact.Computed Properties of C7H13BrO2
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary