AI Article Synopsis
- DNA-encoded chemical library (DEL) screens are key tools in drug discovery, relying on effective reactions with diverse chemical combinations.
- The study introduces a new method for C-N coupling in an aqueous environment that is compatible with DNA, allowing the coupling of both aliphatic and (hetero)aromatic amines with various halides.
- The BippyPhos-Pd(OAc) catalyst system offers broad application potential and is practical for large-scale DEL production, enhancing the diversity of drug-like compounds that can be explored.
Article Abstract
DNA-encoded chemical library (DEL) screens are a powerful hit generation tool in drug discovery, but the diversity of DEL chemical matter is dependent on developing robust reaction conditions that may be used on hundreds to millions of substrate combinations and that are compatible with the platform. Here, we disclose the first report of a general, aqueous, DNA-compatible C-N coupling condition that can now couple aliphatic amines, in addition to (hetero)aromatic amines, with a variety of (hetero)aryl iodides, bromides, and chlorides. The reported BippyPhos-Pd(OAc) catalyst system has a wide substrate scope for both coupling partners, is operationally feasible for large scale DEL productions, uses common DEL building block solution stocks, and enables an expansion of DEL-accessible, drug-like chemical space.
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| http://dx.doi.org/10.1021/acs.orglett.2c01175 | DOI Listing |
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