Discovery of potent and selective CDK8 inhibitors through FBDD approach was written by Han, Xingchun;Jiang, Min;Zhou, Chengang;Zhou, Zheng;Xu, Zhiheng;Wang, Lisha;Mayweg, Alexander V.;Niu, Rui;Jin, Tai-Guang;Yang, Song. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2017.Name: Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate This article mentions the following:
A fragment library screen was carried out to identify starting points for novel CDK8 inhibitors. Optimization of a fragment hit guided by co-crystal structures led to identification of a novel series of potent CDK8 inhibitors which are highly ligand efficient, kinase selective and cellular active. Compound I was progressed to a mouse pharmacokinetic study and showed good oral bioavailability. In the experiment, the researchers used many compounds, for example, Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate (cas: 1196-90-3Name: Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate).
Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate (cas: 1196-90-3) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon–bromine bond is electrophilic in nature. Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.Name: Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary