852575-31-6Relevant academic research and scientific papers
Design, synthesis and bioactivity evaluation of novel dabigatran derivatives as potential thrombin inhibitors
Liu, Qianqian,Ren, Yujie,Gao, Xiaodong
, p. 809 - 817 (2016)
With the help of computer-aided drug design approach, five dabigatran derivatives were designed and synthesized. The structures of these compounds were elucidated by 1H NMR, 13C NMR, HRMS analyses. All the compounds were evaluated fo
Design, synthesis, anticoagulant activity evaluation and molecular docking studies of a class of N -ethyl dabigatran derivatives
Ren, Weixin,Ren, Yujie,Wang, Shuai
, p. 148 - 159 (2016/05/24)
A class of N-ethyl dabigatran derivatives was designed based on pharmacological strategies for inhibition of thrombin activity and the structure-activity relationship studies of the previous dabigatran derivatives. Activities of these novel compounds were predicted based on CoMFA model, and most of the compounds had comparable predicted activity with dabigatran. All of screened compounds were synthesized and characterized by 1HNMR13C NMR and HRMS. Subsequently, these compounds were evaluated inhibitory activity on thrombin. Among these compounds, 9a-9e, 9h, 9l-9n and 9p exhibited comparable inhibitory activity to dabigatran (IC50 Combining double low line 1.20 nM), additionally, compound 9p (IC50 Combining double low line 0.96 nM) exhibited better inhibitory activity than dabigatran. Moreover, compound 9p also exhibited a fairly good inhibitory activity for arteriovenous thrombosis with inhibition rate of (85.35 ± 0.72) %, which was comparable to that of dabigatran (85.07 ± 0.61) %. These results, along with related molecular docking studies, could provide an important basis for further development of compound 9p as a potent thrombin inhibitor.
Efficient unimolecular deprotonation of aniline radical cations
Dombrowski, Gary W.,Dinnocenzo, Joseph P.,Zielinski, Paul A.,Farid, Samir,Wosinska, Zofia M.,Gould, Ian R.
, p. 3791 - 3800 (2007/10/03)
Deprotonation of the radical cations of aromatic amines, such as anilines, generally occurs much more slowly than other fragmentation reactions. Here we report a stereoelectronic effect involving twisting of the anilino group out of the plane of the benze
6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives
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, (2008/06/13)
The present invention concerns compounds of the formula: STR1 wherein R is a lower alkyl group, an aryl group or an alkylaryl group and X and Y are the same or different, and each is OH, NH2, or SH. The aryl group or the aryl moiety of the alkylaryl group may be unsubstituted, monosubstituted, disubstituted or trisubstituted. If substituted, each substituent may independently be an alkyl group, an alkyloxy group or a halogen. The present invention also provides methods for synthesizing the compounds described above.
