Crespo M I, Pagès L, Vega A, Segarra V, López M, Doménech T, Miralpeix M, Beleta J, Ryder H, Palacios J M
Almirall Prodesfarma S.A., Research Center, Cardener 68-74, 08024 Barcelona, Spain.
J Med Chem. 1998 Oct 8;41(21):4021-35. doi: 10.1021/jm981012m.
A common pharmacophore for compounds structurally related to nitraquazone has been derived. Using this pharmacophore, new structures have been designed, synthesized, and evaluated for their inhibitory potencies against cyclic adenosine 5'-monophosphate (cAMP) specific phosphodiesterase (PDE 4). From these compounds, 4-benzylamino-2-butylthieno[3,2-d]pyrimidine (4) was selected for optimization. The effects of changes to the lipophilic groups and the amino linkage on the PDE 4 activity have been investigated. As a result, some potent PDE 4 inhibitors, selective with respect to PDE 3, have been identified. A selected group of compounds have been further evaluated for their ability to displace [3H]rolipram from its binding site and also to potentiate isoprenaline-induced cAMP accumulation in isolated guinea pig eosinophils. Of these, 2-butyl-4-cyclohexylaminothieno[3,2-d]pyrimidine (33) has an interesting profile, with an important improvement in PDE 4/[3H]rolipram ratio with respect to reference drugs, and good activity in cAMP potentiation, consistent with efficient cell penetration.
已推导出与硝喹酮结构相关的化合物的共同药效基团。利用该药效基团,设计、合成了新结构,并评估了它们对环磷酸腺苷(cAMP)特异性磷酸二酯酶(PDE 4)的抑制效力。从这些化合物中,选择了4-苄基氨基-2-丁基噻吩并[3,2-d]嘧啶(4)进行优化。研究了亲脂性基团和氨基连接的变化对PDE 4活性的影响。结果,鉴定出了一些对PDE 3具有选择性的强效PDE 4抑制剂。已对一组选定的化合物进一步评估了它们从结合位点置换[3H]咯利普兰的能力,以及增强异丙肾上腺素诱导的分离豚鼠嗜酸性粒细胞中cAMP积累的能力。其中,2-丁基-4-环己基氨基噻吩并[3,2-d]嘧啶(33)具有有趣的特性,与参比药物相比,PDE 4/[³H]咯利普兰比值有重要改善,且在增强cAMP方面具有良好活性,这与有效的细胞穿透性一致。