Yeheng Zhu

Discovery of Triazine-Based Toll-Like Receptor 9 Antagonists with Oral Activity

Michael D. Mandler, Yeheng Zhu, Emily C. Hollenbeck, Milinda Ziegler et autres

A screen for small-molecule antagonists of Toll-like receptor 9 (TLR9) uncovered a triazine chemotype hit with potential liabilities, including a nitroarene, a hydrazone, and a free phenol. Systematic replacement of these liabilities led to the identification of compound 20, which maintained submicromolar …

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CCDC 2196128: Experimental Crystal Structure Determination

Michael D. Mandler, Nina Suss, Antonio Ramı́rez, Christopher A. Farley et autres

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …

CCDC 2184505: Experimental Crystal Structure Determination

Michael D. Mandler, Nina Suss, Antonio Ramı́rez, Christopher A. Farley et autres

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …

CCDC 2196127: Experimental Crystal Structure Determination

Michael D. Mandler, Nina Suss, Antonio Ramı́rez, Christopher A. Farley et autres

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …

Amination of Nitro-Substituted Heteroarenes by Nucleophilic Substitution of Hydrogen

Michael D. Mandler, Nina Suss, Antonio Ramı́rez, Christopher A. Farley et autres

An open-air method for the transition metal-free direct amination of nitro(hetero)arenes by anilines is disclosed. In this methodology, an aromatic C-H bond is substituted via oxidative nucleophilic aromatic substitution of hydrogen (ONSH). Density functional theory calculations and mechanistic studies support a dianion …

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Overcoming Limitations in Decarboxylative Arylation via Ag–Ni Electrocatalysis

Maximilian D. Palkowitz, Gabriele Laudadio, Simon Kolb, Jin Ho Choi et autres

A useful protocol for achieving decarboxylative cross-coupling (DCC) of redox-active esters (RAE, isolated or generated in situ) and halo(hetero)arenes is reported. This pragmatically focused study employs a unique Ag–Ni electrocatalytic platform to overcome numerous limitations that have plagued this strategically powerful transformation. …

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Structural and Thermal Characterization of Halogenated Azidopyridines: Under-Reported Synthons for Medicinal Chemistry

Michael D. Mandler, Andrew P. Degnan, Shasha Zhang, Darpandeep Aulakh et autres

Owing to their participation in Click reactions, bifunctional azides are valuable intermediates in the preparation of medicines and biochemical tool compounds. Despite the privileged nature of pyridines among pharmaceutical scaffolds, reports of the synthesis and characterization of azidopyridines bearing a halogen substituent …

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CCDC 2110936: Experimental Crystal Structure Determination

Michael D. Mandler, Andrew P. Degnan, Shasha Zhang, Darpandeep Aulakh et autres

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …

CCDC 2110938: Experimental Crystal Structure Determination

Michael D. Mandler, Andrew P. Degnan, Shasha Zhang, Darpandeep Aulakh et autres

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …

CCDC 2110935: Experimental Crystal Structure Determination

Michael D. Mandler, Andrew P. Degnan, Shasha Zhang, Darpandeep Aulakh et autres

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …

CCDC 2110937: Experimental Crystal Structure Determination

Michael D. Mandler, Andrew P. Degnan, Shasha Zhang, Darpandeep Aulakh et autres

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …

CCDC 2110939: Experimental Crystal Structure Determination

Michael D. Mandler, Andrew P. Degnan, Shasha Zhang, Darpandeep Aulakh et autres

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …