Procopiou Panayiotis A, Ancliff Rachael A, Bamford Mark J, Browning Christopher, Connor Helen, Davies Susannah, Fogden Yvonne C, Hodgson Simon T, Holmes Duncan S, Looker Brian E, Morriss Karen M L, Parr Christopher A, Pickup Elizabeth A, Sehmi Sanjeet S, White Gemma V, Watts Clarissa J, Wilson David M, Woodrow Michael D
Department of Chemistry, GlaxoSmithKline Medicines REsearch Centre, Hertfordshire, UK.
J Med Chem. 2007 Dec 27;50(26):6706-17. doi: 10.1021/jm0708228. Epub 2007 Dec 6.
A series of ketopiperazines were prepared and evaluated for their activity as histamine H 3 antagonists. From investigation of the tertiary basic center in the aminopropyloxyphenyl template, the 2( R)-methylpyrrolidine was identified as the most potent amine. In the more rigid piperidineoxyphenyl template the N-cyclobutyl group was the most potent amine. The 4-fluorobenzyol, 4-cyanobenzoyl, and 2,4-difluorobenzoyl groups provided good pharmacokinetic profiles for the various amides. The PSA and log D values of these compounds suggested low brain penetration. The compounds had very high selectivity over other receptors and did not inhibit hepatic cytochrome P450, indicating low drug-drug interaction potential. Compound 22i was identified as the best compound of this series based on its overall profile of high potency, selectivity, low brain penetration, lack of CYP450 inhibition, high oral bioavailability, and pharmacokinetic properties.
制备了一系列酮哌嗪,并对其作为组胺H3拮抗剂的活性进行了评估。通过对氨基丙氧基苯基模板中的叔碱性中心进行研究,确定2(R)-甲基吡咯烷是最有效的胺。在更刚性的哌啶氧基苯基模板中,N-环丁基是最有效的胺。4-氟苄基、4-氰基苯甲酰基和2,4-二氟苯甲酰基为各种酰胺提供了良好的药代动力学特征。这些化合物的PSA和log D值表明其脑渗透性较低。这些化合物对其他受体具有非常高的选择性,并且不抑制肝细胞色素P450,表明药物-药物相互作用的可能性较低。基于其高效能、选择性、低脑渗透性、缺乏CYP450抑制、高口服生物利用度和药代动力学特性的总体概况,化合物22i被确定为该系列中最佳的化合物。