1,2-dimethyl-6-methylamino-4-(3-methylpiperidino)pyrimidinium chloride | 136346-39-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,2-dimethyl-6-methylamino-4-(3-methylpiperidino)pyrimidinium chloride
• 英文别名: N,2,3-trimethyl-6-(3-methylpiperidin-1-yl)pyrimidin-3-ium-4-amine;chloride
• CAS: 136346-39-9
• 化学式: C₁₃H₂₃N₄*Cl
• 分子量: 270.805
• InChiKey: ZXPIFAYSMBZIIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  32
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Diazine derivatives
  申请人：ZENECA LIMITED

  公开号：EP0434341A1

  公开（公告）日：1991-06-26

  This invention concerns compounds of the formula I: wherein R1 is (1-10C)alkyl, (3-8C)cycloalkyl, (3-8C)cycloalkyl-(1-4C)alkyl, phenyl or phenyl(1-4C)alkyl, the phenyl moiety of the latter two optionally bearing one or more substituents; R2 is hydrogen, (1-4C)alkyl, amino or (1-4C)-alkylamino; R6 is (1-4C)alkyl, amino or (1-4C)alkylamino; Q is a group of formula II, in which case R3 and R4 are independently hydrogen, (1-4C)alkyl, phenyl or benzyl the phenyl moiety of the latter two optionally bearing one or two substituents; R5 is hydrogen, (1-4C)alkyl or (2-4C)alkenyl; A and B are independently ethylene or trimethylene; Z is a direct bond between A and B, or an oxy, thio, carbonyl, methylene, ethylenedioxymethylene, ethylidene, or isopropylidene link, or Z is a group of the formula =N.M in which M is hydrogen, (1-6C)alkyl, phenyl or benzyl, the phenyl moiety of the latter two optionally bearing one or two substituents; or Q represents a saturated 9- or 10-membered bicyclic amino group, which is unsubstituted or is substituted by one or two substituents; and Y is a physiologically acceptable anion. The invention also includes certain closely related anhydro-base derivatives which, like the compounds of formula I, possess beneficial effects on the cardiovascular system (and in particular beneficial effects modulated via the sino-atrial node). Also included are pharmacuetical compositions containing compounds of formula I (or a related anhydro-base) as active ingredient, and processes for the manufacture of the various novel compounds.

  本发明涉及式 I 的化合物： 其中R1是(1-10C)烷基、(3-8C)环烷基、(3-8C)环烷基-(1-4C)烷基、苯基或苯基(1-4C)烷基，后两者的苯基任选带有一个或多个取代基；R2是氢、(1-4C)烷基、氨基或(1-4C)-烷基氨基；R6是(1-4C)烷基、氨基或(1-4C)烷基氨基；Q 是式 II 的基团，在这种情况下，R3 和 R4 独立地是氢、(1-4C)烷基、苯基或苄基，后两者的苯基可选择带有一个或两个取代基；R5 是氢、(1-4C)烷基或(2-4C)烯基；A 和 B 独立地是亚乙基或三亚甲基；Z 是 A 和 B 之间的直接键，或氧键、硫键、羰基键、亚甲基键、亚乙基二氧亚甲基键、亚乙基键或异亚丙基键，或 Z 是式 =N.M 的基团，其中 M 是氢、(1-4C)烷基或(2-4C)烯基。其中 M 是氢、(1-6C)烷基、苯基或苄基，后两者的苯基任选带有一个或两个取代基；或 Q 代表饱和的 9 元或 10 元双环氨基，该氨基未被取代或被一个或两个取代基取代；Y 是生理上可接受的阴离子。 本发明还包括某些密切相关的脱氢基衍生物，它们与式 I 化合物一样，对心血管系统具有有益作用（尤其是通过窦房结调节的有益作用）。此外，还包括含有式 I 化合物（或相关的氢基）作为活性成分的药用组合物，以及各种新型化合物的生产工艺。
• US5252567A
  申请人：——

  公开号：US5252567A

  公开（公告）日：1993-10-12