Antonow, Dyeison; Kaliszczak, Maciej; Kang, Gyoung-Dong; Coffils, Marissa; Tiberghien, Arnaud C.; Cooper, Nectaroula; Barata, Teresa; Heidelberger, Sibylle; James, Colin H.; Zloh, Mire; Jenkins, Terence C.; Reszka, Anthony P.; Neidle, Stephen; Guichard, Sylvie M.; Jodrell, Duncan I.; Hartley, John A.; Howard, Philip W.; Thurston, David E. published the artcile< Structure-Activity Relationships of Monomeric C2-Aryl Pyrrolo[2,1-c][1,4]benzodiazepine (PBD) Antitumor Agents>, Recommanded Product: 4-(4-Methyl-1-piperazinyl)phenylboronic Acid, the main research area is pyrrolobenzodiazepine aryl preparation antitumor structure activity relationship.
A comprehensive SAR investigation of the C2-position of pyrrolo[2,1-c][1,4]benzodiazepine (PBD) monomer antitumor agents is reported, establishing the mol. requirements for optimal in vitro cytotoxicity and DNA-binding affinity. Both carbocyclic and heterocyclic C2-aryl substituents have been studied ranging from single aryl rings to fused ring systems, and also styryl substituents, establishing across a library of 80 analogs that C2-aryl and styryl substituents significantly enhance both DNA-binding affinity and in vitro cytotoxicity, with a correlation between the two. The optimal C2-grouping for both DNA-binding affinity and cytotoxicity was found to be the C2-quinolinyl moiety which, according to mol. modeling, is due to the overall fit of the mol. in the DNA minor groove, and potential specific contacts with functional groups in the floor and walls of the groove. This analog (I) was shown to delay tumor growth in a HCT-116 (bowel) human tumor xenograft model.
Journal of Medicinal Chemistry published new progress about Antitumor agents. 229009-40-9 belongs to class piperazines, and the molecular formula is C11H17BN2O2, Recommanded Product: 4-(4-Methyl-1-piperazinyl)phenylboronic Acid.
Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics