2,3,5,6-tetramethyl-4-imino-7-phenyl-3H,7H-pyrrolo-[2,3-d]pyrimidine | 142228-46-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2,3,5,6-tetramethyl-4-imino-7-phenyl-3H,7H-pyrrolo-[2,3-d]pyrimidine
• 英文别名: 2,3,5,6-Tetramethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-imine
• CAS: 142228-46-4
• 化学式: C₁₆H₁₈N₄
• 分子量: 266.346
• InChiKey: QIOUJHAZRIJEBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  44.4
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Pyrrolo[2,3-d]pyrimidines with cardiovascular activity, process for their preparation and pharmaceutical compositions containing them
  申请人：ZENECA LIMITED

  公开号：EP0482804A1

  公开（公告）日：1992-04-29

  This invention concerns novel heterocyclic compounds of formula I (and pharmaceutically-acceptable salts thereof): wherein: R¹ is hydrogen, (1-8C)alkyl or phenyl(1-4C)alkyl; R² is (1-6C)alkyl, phenyl(1-4C)alkyl, (3-6C)cycloalkyl, (3-6C)cycloalkyl(1-4C)alkyl or phenyl; R³ is hydrogen, (1-6C)alkyl, phenyl(1-4C)alkyl, (3-6C)cycloalkyl, (3-6C)cycloalkyl(1-4C)alkyl, phenyl or (3-6C)alkenyl; R⁴ and R⁵ are indepentently selected from hydrogen and (1-6C)alkyl; and wherein the phenyl ring and/or one or more of said phenyl or benzene moieties may optionally be unsubstituted or substituted by one or more substituents independently selected from halogeno, (1-4C)alkyl, (3-6C)alkenyl, (1-4C)alkoxy, cyano, trifluoromethyl, nitro, carboxy, (1-4C)alkylamino, dialkylamino of up to six carbon atoms, (1-4C)alkylthio, (1-4C)alkylsulphinyl, (1-4C)alkylsulphonyl and (1-4C)alkylsulphonyl and (1-4C)alkylenedioxy; but excluding the compound in which R¹, R³, R⁴ and R⁵ are each methyl, the phenyl ring is unsubstituted and R² is ethyl, and its pharmaceutically-acceptable salt. The compound of formula I (and pharmaceutically-acceptable salts thereof) possess beneficial effects on the cardiovascular system, and in particular beneficial effects modulated via the sino-atrial node. Also included are processes for the manufacture of compounds of the formula I (or a pharmaceutically-acceptable salt), and pharmaceutical compositions.

  本发明涉及式 I 的新型杂环化合物（及其药学上可接受的盐）： 其中R¹是氢、(1-8C)烷基或苯基(1-4C)烷基；R²是(1-6C)烷基、苯基(1-4C)烷基、(3-6C)环烷基、(3-6C)环烷基(1-4C)烷基或苯基；R³ 是氢、(1-6C)烷基、苯基(1-4C)烷基、(3-6C)环烷基、(3-6C)环烷基(1-4C)烷基、苯基或(3-6C)烯基；R⁴ 和 R⁵ 单独选自氢和 (1-6C)烷基；其中苯环和/或一个或多个所述苯基或苯分子可任选未被取代或被一个或多个取代基取代，这些取代基独立选自卤素、(1-4C)烷基、(3-6C)烯基(1-4C)烷氧基、氰基、三氟甲基、硝基、羧基、(1-4C)烷基氨基、多达六个碳原子的二烷基氨基、(1-4C)烷硫基、(1-4C)烷基亚磺酰基、(1-4C)烷基磺酰基和(1-4C)烷基亚磺酰基以及(1-4C)烷二氧基；但不包括 R¹、R³、R⁴ 和 R⁵ 均为甲基、苯基环未被取代且 R² 为乙基的化合物及其药学上可接受的盐。 式 I 的化合物（及其药学上可接受的盐）对心血管系统具有有益作用，特别是通过窦房结调节的有益作用。此外，还包括式 I 化合物（或其药学上可接受的盐）和药物组合物的生产工艺。
• US5328910A
  申请人：——

  公开号：US5328910A

  公开（公告）日：1994-07-12