EUbOPEN DSiP extension (Live)

Some saturated heterocycles (and C-substitution patterns) are under-represented in the library (Fig.1; red and orange). The EubOpen set of 108 compounds was designed to address this lack of diversity. Additionally these additional compounds were carefully chosen to be compatible with a new range of reactions enabling expansions vectors that were previously not considered (fig 2). 

 

Fig1. Carbon-substituted heterocycles are under-represented in the DSiP library 

The DSI-P was designed to allow a quick enumeration of analogues by using conventional and well-known chemistry reactions. Novel reactions, in particular α-(het)arylation and β-functionalisation of saturated nitrogen heterocycles increase the number of “poised” positions for fragment growth.  Adam Nelson and Steve Marsden at the University of Leeds have established a reaction toolkit to “grow” saturated cyclic amine fragments both α and β to N e.g. Chem. Eur. J. 2020, 26, 14861; Chem. Commun. 2020, 56, 8802.  

The DSiP extension is provided by the EUbOPEN consortium and is available to all users.

Compounds:

• 108 fragments
• 500 mM in d6-DMSO
• 100mM in EG

SMILES: click to download the EUbOPEN DSiP extension plate map.

For follow-ups, please contact: Adam Nelson