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A machine-assisted approach for the preparation of follow-on pharmaceutical compound libraries

Schotten, C; Leist, LGT; Semrau, AL; Browne, DL; (2018) A machine-assisted approach for the preparation of follow-on pharmaceutical compound libraries. Reaction Chemistry & Engineering , 3 (2) pp. 210-215. 10.1039/c8re00010g. Green open access

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Abstract

Follow-on drugs represent the majority of new drug introductions and show improved properties to the pioneer drug. In order to fast-follow, R&D needs to be able to quickly generate a library of analogues that can then be screened for desired properties. Here we have designed a hybrid machine-assisted approach which makes use of both multi-step continuous flow processing and robotic microwave reactors to generate a library of indoles over two technology steps (four reaction steps; diazotization, reduction, unmasking of the hydrazine and Fischer indole reaction). This ‘machine’ is then used to prepare a small library of hitherto unreported analogues of the 5-HT agonist Zolmitriptan in good yields, thus demonstrating that the integration and use of machines is a powerful tool to expedite drug discovery.

Type: Article
Title: A machine-assisted approach for the preparation of follow-on pharmaceutical compound libraries
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/c8re00010g
Publisher version: http://dx.doi.org/10.1039/c8re00010g
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
Keywords: FISCHER INDOLE SYNTHESIS, OPTIMIZING REACTOR SYSTEMS, NITROSATED IN-SITU, ASCORBIC-ACID, CHEMICAL-SYNTHESIS, MASS-SPECTROMETRY, ORGANIC-SYNTHESIS, FLOW, OPTIMIZATION, ARYLATION
UCL classification: UCL
UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy > Pharma and Bio Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10114373
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