Principal Beamline Scientist:
Frank von Delft
Tel: +44 (0) 1235 778997
E-mail: [email protected]
Senior Beamline Scientist:
Daren Fearon
Tel: +44 (0) 1235 778936
E-mail: [email protected]
Email: [email protected]
Tel: +44 (0) 1235 778926
The design principle of the DSi-P (Diamond-SGC-iNEXT Poised) library is to allow rapid, cheap follow-up synthesis to provide quick SAR data. Poised fragments contain at least one functional group which can be synthesised using a robust, well-characterised reaction. Reactions include amide couplings, Suzuki-type aryl-aryl couplings and reductive aminations.
The library was designed by analysing all of commercially available fragment space for poised-ness and selecting a chemically diverse subset which is aligned with the availability of compounds in Enamine REAL Database.
Validation of the DSPL was published in Chemical Sciences: for one challenging target, the second bromodomain of PHIP, the first ever reported hits were obtained by XChem screening; two hits were poised and were followed up accordingly, yielding compounds with improved potency in the sub-100uM range and showing good ligand efficiency - and of course detailed structural data.
This library can be ordered directly from Enamine.
PUBLICATION to cite:
O. B. Cox, K. Krojer, P. Collins, O. Monteiro, R. Talon, A. Bradley, O. Fedorov, J. Amin, B. D. Marsden, J. Spencer, F. von Delft, P. E. Brennan, A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem. Sci., 7, 2322-2330 (2016). http://pubs.rsc.org/is/content/articlelanding/2016/sc/c5sc03115j
d6-DMSO:
Ethylene glycol:
Batch 4:
Batch 3:
Batch 1:
The QC information performed by Enamine is captured in these files:
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