5-Fluoro-1-benzothiophene-2-carboxylic acid (cas: 70060-13-8) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The core structure is a part of various pharmaceutical substances and natural products. It is found within the chemical structures of pharmaceutical drugs such as zileuton, raloxifene, and sertaconazole, and also BTCP.HPLC of Formula: 70060-13-8
C17,20-Lyase inhibitors I. Structure-based de novo design and SAR study of C17,20-lyase inhibitors was written by Matsunaga, Nobuyuki;Kaku, Tomohiro;Itoh, Fumio;Tanaka, Toshimasa;Hara, Takahito;Miki, Hiroshi;Iwasaki, Masahiko;Aono, Tetsuya;Yamaoka, Masuo;Kusaka, Masami;Tasaka, Akihiro. And the article was included in Bioorganic & Medicinal Chemistry in 2004.HPLC of Formula: 70060-13-8 This article mentions the following:
Novel nonsteroidal C17,20-lyase inhibitors were synthesized using de novo design based on its substrate, 17α-hydroxypregnenolone, and several compounds exhibited potent C17,20-lyase inhibition. However, in vivo activities in inhibiting testosterone biosynthesis were short-lasting, and to improve the duration of action, a series of benzothiophene derivatives were evaluated. As a result, 4-[(E)-4-(5-fluorobenzo[b]thiophen-2-yl)-3-buten-2-yl]-1H-imidazole, (S)-4-[(E)-4-(5-fluoro-3-methylbenzo[b]thiophen-2-yl)-3-buten-2-yl]-1H-imidazole, and 4-(E)-4-(5-fluorobenzo[b]thiophen-2-yl)-2-methyl-3-buten-2-yl-1H-imidazole (I) (IC50=4-9 nM) and 4-[(E)-3-(5-fluoro-3-methylbenzo[b]thiophen-2-yl)-2-propen-1-yl]-1H-imidazole (IC50=27 nM) were identified to have powerful in vivo efficacy with extended duration of action. The key structural determinants for the in vivo efficacy were demonstrated to be the 5-fluoro group on the benzothiophene ring and the 4-imidazolyl moiety. Superimposition of I and 17α-hydroxypregnenolone demonstrated their structural similarity and enabled rationalization of the pharmacol. results. In addition, selected compounds were also identified to be potent inhibitors of human enzyme with IC50 values of 20-30 nM. These results suggest that some benzothiophene inhibitors described in this paper may be promising agents for the treatment of prostate cancer. In the experiment, the researchers used many compounds, for example, 5-Fluoro-1-benzothiophene-2-carboxylic acid (cas: 70060-13-8HPLC of Formula: 70060-13-8).
5-Fluoro-1-benzothiophene-2-carboxylic acid (cas: 70060-13-8) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The core structure is a part of various pharmaceutical substances and natural products. It is found within the chemical structures of pharmaceutical drugs such as zileuton, raloxifene, and sertaconazole, and also BTCP.HPLC of Formula: 70060-13-8
Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem