Deliberately Losing Control of C−H Activation Processes in the Design of Small‐Molecule‐Fragment Arrays Targeting Peroxisomal Metabolism. Khan Tareque, R., Hassell‐Hart, S., Krojer, T., Bradley, A., Velupillai, S., Talon, R., Fairhead, M., Day, I., J., Bala, K., Felix, R., Kemmitt, P., D., Brennan, P., Delft, F., Díaz Sáez, L., Huber, K., & Spencer, J. ChemMedChem, 15(24):2513-2520, John Wiley and Sons Ltd, 12, 2020.
Deliberately Losing Control of C−H Activation Processes in the Design of Small‐Molecule‐Fragment Arrays Targeting Peroxisomal Metabolism [link]Website  doi  abstract   bibtex   
Combined photochemical arylation, “nuisance effect” (SNAr) reaction sequences have been employed in the design of small arrays for immediate deployment in medium-throughput X-ray protein–ligand structure determination. Reactions were deliberately allowed to run “out of control” in terms of selectivity; for example the ortho-arylation of 2-phenylpyridine gave five products resulting from mono- and bisarylations combined with SNAr processes. As a result, a number of crystallographic hits against NUDT7, a key peroxisomal CoA ester hydrolase, have been identified.
@article{
 title = {Deliberately Losing Control of C−H Activation Processes in the Design of Small‐Molecule‐Fragment Arrays Targeting Peroxisomal Metabolism},
 type = {article},
 year = {2020},
 pages = {2513-2520},
 volume = {15},
 websites = {https://onlinelibrary.wiley.com/doi/10.1002/cmdc.202000543},
 month = {12},
 publisher = {John Wiley and Sons Ltd},
 day = {15},
 id = {59be5df9-edc6-3d9d-bf46-3db69fec6d9c},
 created = {2021-03-08T08:44:43.850Z},
 accessed = {2021-03-08},
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 profile_id = {64f7fb50-d000-335d-a02d-06c5f340a97a},
 last_modified = {2021-04-28T15:28:55.308Z},
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 starred = {false},
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 citation_key = {KhanTareque2020},
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 abstract = {Combined photochemical arylation, “nuisance effect” (SNAr) reaction sequences have been employed in the design of small arrays for immediate deployment in medium-throughput X-ray protein–ligand structure determination. Reactions were deliberately allowed to run “out of control” in terms of selectivity; for example the ortho-arylation of 2-phenylpyridine gave five products resulting from mono- and bisarylations combined with SNAr processes. As a result, a number of crystallographic hits against NUDT7, a key peroxisomal CoA ester hydrolase, have been identified.},
 bibtype = {article},
 author = {Khan Tareque, Raysa and Hassell‐Hart, Storm and Krojer, Tobias and Bradley, Anthony and Velupillai, Srikannathasan and Talon, Romain and Fairhead, Michael and Day, Iain J. and Bala, Kamlesh and Felix, Robert and Kemmitt, Paul D. and Brennan, Paul and Delft, Frank and Díaz Sáez, Laura and Huber, Kilian and Spencer, John},
 doi = {10.1002/cmdc.202000543},
 journal = {ChemMedChem},
 number = {24}
}

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