DSi-Poised Library

​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:

• Batch 4 - in use from July 2022
• 988 compounds (including EUbOpen DSi-P extension)
• 500 mM
• 1536 LDV ECHO-compatible plate
• Plate map

Ethylene glycol:

• Batch 2
• 768 compounds
• 100 mM
• 384 PP ECHO-compatible plate
• Plate map

Batch 3:

• In use from December 2020 until July 2022
• 768 compounds
• 500 mM d6-DMSO
• 1536 LDV ECHO-compatible plate
• Plate map

Batch 1:

• In use until December 2020
• 768 compounds
• 500 mM d6-DMSO
• 1536 LDV ECHO-compatible plate
• Plate map

The QC information performed by Enamine is captured in these files: 

• 1_Z17497990 to Z32327641
• 2_Z32385991 to Z57446103
• 3_Z57472297 to Z216450634
• 4_Z217038356 to Z735557654
• 5_Z741055844 to Z1273141646
• 6_Z1273312142 to Z1745658474
• 7_Z1787158625 to Z2856434816
• 8_Z2856434821 to Z2940170964