New scaffolds of inhibitors targeting the DNA binding of NF-κB was written by Kobayashi, Takanobu;Tanuma, Sei-ich;Kino, Katsuhito;Miyazawa, Hiroshi. And the article was included in Integrative Molecular Medicine in 2016.Safety of 4,6-Dichloro-N-phenyl-1,3,5-triazin-2-amine The following contents are mentioned in the article:
Nuclear factor-kappa B (NF-κB) has numerous pathophysiol. functions and is therefore considered a suitable target in the search for drugs to treat many diseases, including cancers and inflammatory diseases. We previously reported a novel triazine-based NF-κB inhibitor, 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine (NI241), which directly inhibits binding of NF-κB to DNA. We predicted the mode of binding between NI241 and p50 (a member of NF-κB family) using in silico docking simulations. Here, we searched for new NF-κB inhibitors using structure-based virtual screening (SBVS), a computational method widely used to identify candidate compounds in drug discovery. In the present study, we performed SBVS with the docking simulation program Glide and selected 33 compounds from our virtual chem. library. Subsequently, we investigated the NF-κB inhibitory effects of these compounds using electrophoretic mobility shift assays. We identified two compounds that inhibited the DNA binding of p50. Although these compounds were less effective than NI241 as NF-κB inhibitors, they have new scaffold structures and provide clues that will aid future efforts to identify novel compounds that specifically inhibit the binding of NF-κB to DNA. This study involved multiple reactions and reactants, such as 4,6-Dichloro-N-phenyl-1,3,5-triazin-2-amine (cas: 2272-40-4Safety of 4,6-Dichloro-N-phenyl-1,3,5-triazin-2-amine).
4,6-Dichloro-N-phenyl-1,3,5-triazin-2-amine (cas: 2272-40-4) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Safety of 4,6-Dichloro-N-phenyl-1,3,5-triazin-2-amine
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics