204851-47-8Relevant articles and documents
From Complex Natural Products to Simple Synthetic Mimetics by Computational de Novo Design
Friedrich, Lukas,Rodrigues, Tiago,Neuhaus, Claudia S.,Schneider, Petra,Schneider, Gisbert
, p. 6789 - 6792 (2016)
We present the computational de novo design of synthetically accessible chemical entities that mimic the complex sesquiterpene natural product (-)-Englerin A. We synthesized lead-like probes from commercially available building blocks and profiled them for activity against a computationally predicted panel of macromolecular targets. Both the design template (-)-Englerin A and its low-molecular weight mimetics presented nanomolar binding affinities and antagonized the transient receptor potential calcium channel TRPM8 in a cell-based assay, without showing target promiscuity or frequent-hitter properties. This proof-of-concept study outlines an expeditious solution to obtaining natural-product-inspired chemical matter with desirable properties.
Discovery of the first potent and selective αvβ5 integrin inhibitor based on an amide-containing core
Lippa, Rhys A.,Barrett, John,Pal, Sandeep,Rowedder, James E.,Murphy, John A.,Barrett, Tim N.
supporting information, (2020/09/02)
Integrins αvβ5 and αvβ3 are closely related, proangiogenic members of the wider RGD-binding integrin family. Due to their high sequence homology, the development of αvβ5-selective compounds
Preparation method of chiral intermediate of niraparib
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Paragraph 0043; 0044; 0045, (2017/11/18)
The invention discloses a novel synthetic method for preparing a chiral intermediate of niraparib. The method comprises the following steps: taking 4-bromophenylacetic acid and chiral substituted oxazolone as starting materials; and carrying out amide condensation, Michael addition, hydrolysis, reduction and intramolecular cyclization to obtain the intermediate (VII). The preparation method is low in cost, raw materials are easily obtained, the yield is high, and the synthetic method is suitable for industrialized production.