Panchaud, Philippe published the artcileDiscovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents, Computed Properties of 1187931-22-1, the publication is Journal of Medicinal Chemistry (2017), 60(9), 3755-3775, database is CAplus and MEDLINE.
Our strategy to combat resistant bacteria consisted of targeting the GyrB/ParE ATP-binding sites located on bacterial DNA gyrase and topoisomerase IV and not utilized by marketed antibiotics. Screening around the minimal Et urea binding motif led to the identification of isoquinoline Et urea 13 as a promising starting point for fragment evolution. The optimization was guided by structure-based design and focused on antibacterial activity in vitro and in vivo, culminating in the discovery of unprecedented substituents able to interact with conserved residues within the ATP-binding site. A detailed characterization of the lead compound highlighted the potential for treatment of the problematic fluoroquinolone-resistant MRSA, VRE, and S. pneumoniae, and the possibility to offer patients an i.v.-to-oral switch therapy was supported by the identification of a suitable prodrug concept. Eventually, hERG K-channel block was identified as the main limitation of this chem. series, and efforts toward its minimization are reported.
Journal of Medicinal Chemistry published new progress about 1187931-22-1. 1187931-22-1 belongs to pyrimidines, auxiliary class Pyrimidine,Bromide,Salt, name is 4-Bromopyrimidine hydrobromide, and the molecular formula is C4H4Br2N2, Computed Properties of 1187931-22-1.
Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia