DIDACTIC APPROACH FOR THE DEVELOPMENT OF BIOATIVE MOLECULES: LIPINSKI’S FIVE-RULE AND PREPARATION OF 1,3,4-OXADIAZOL HETEROCYLIC IN DOMESTIC MICROWAVE OVEN

Quimica nova

Santos, Victória Laysna dos Anjos¹ 

[1]Universidade Federal do Vale do São Francisco, Petrolina, Brazil

关键词: Rule of five (RO5);    Lipinski;    new chemical entities (NEQ);    domestic microwave oven;    ChemSpider®.;   

DOI  :  10.21577/0100-4042.20170135

学科分类：化学（综合）

来源: Sociedade Brasileira de Quimica

【 摘 要 】

In Brazil, the development of new chemical entities (NEQ) is still limited to small advances in the academic and public research sectors, the authors understand that this is a sector of the pharmaceutical industry that needs encouragement. Accepting that education transforms society, educate students in the development of bioactive molecules, it’s a way to stimulate the national pharmaceutical industry to invest in the sector. Thus, this work brings a didactic sequence, applicable in undergraduate courses, which exemplifies some stages of development of the NEQ through its rational planning. The synthesis of a 1,3,4-oxadiazole heterocycle was planned and its potentiality assessed through the Lipinski’s Rule of Five (RO5), using the ChemSpider® database. Once in accordance with RO5, the heterocycle was prepared using a simple and accessible methodology, using microwaves for domestic use as heating source. The 2-phenyl-5-(pyridin-4-yl)-1,3,4-oxadiazole was synthesized by oxidative cyclization of acylhydrazone and an overall yield of 90%. So was possible to demonstrate in a practical way some steps for the development of a substance with potential biological activity and thus to attract greater interest of undergraduate students by this follow-up of the Medicinal Chemistry.

【 授权许可】

CC BY