4-indol-1-yl-N,1,6-trimethylpyridin-1-ium-2-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4-indol-1-yl-N,1,6-trimethylpyridin-1-ium-2-amine
• 化学式: C16H18N3+
• 分子量: 252.33
• InChiKey: SINXJLBMAJJMNL-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  20.8
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• Amine derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0453197A1

  公开（公告）日：1991-10-23

  This invention concerns novel aminopyridinium compounds of the formula I wherein R1, R2, R3, R5 and R6 are selected from the following combinations: (a) one of R2 and R6 is a basic group selected from amino, alkylamino, dialkylamino of up to eight carbon atoms, pyrrolidino, piperidino and morpholino, or is alkyl, alkenyl, alkoxyalkyl, alkoxy, alkylthio, phenyl, phenylalkyl, cycloalkyl or cydoalkylalkyl ; and the other of R2 and R6 is hydrogen, alkyl or one of the above defined basic groups; R1 is alkyl, alkenyl, cycloalkyl, phenyl, phenylalkyl, cycloalkylalkyl; and R3 and R5 are independently hydrogen, alkyl or alkenyl ; (b) R2 is a basic group as defined above, R5 and R6 together form alkylene or, together with the appendant carbon atoms of the pyridine ring, complete a benzene ring ; R1 has any of the meanings defined in (a) above; and R3 is hydrogen, alkyl or alkenyl ; and (c) R2 has any of the meanings defined above and R6 is a group of the formula -NR7.A- in which A together with R1 forms an ethylene, trimethylene or tetramethylene link and R7 is hydrogen or alkyl ; and R3 and R5 have, independently, any of the meanings defined in (a) above; and wherein R4 is hydrogen, cycloalkylalkyl, alkyl, alkenyl, alkynyl or phenylalkyl ; and Q is phenyl ; or the group Q.N(R4)- together constitutes an azaheterocydic moietyo; Y is a physiologically acceptable anion; and any one or more of said phenyl or benzene moieties may optionally be unsubstituted or bear one or more selected substituents. The invention also includes certain closely related anhydro-base derivatives which, like the formula I componds, possess beneficial effects on the cardiovascular system. Also included are pharmaceutical compositions and processes for the manufacture of the various novel compounds.

  本发明涉及式 I 的新型氨基吡啶化合物，其中 R1、R2、R3、R5 和 R6 选自以下组合： (a) R2 和 R6 中的一个是选自氨基、烷基氨基、最多八个碳原子的二烷基氨基、吡咯烷 基、哌啶基和吗啉基的碱性基团，或者是烷基、烯基、烷氧基烷基、烷氧基、烷硫基、苯基、苯基烷基、环烷基或环烷基烷基；R2 和 R6 的另一个是氢、烷基或上述定义的碱性基团之一；R1 是烷基、烯基、环烷基、苯基、苯基烷基、环烷基烷基；R3 和 R5 独立地是氢、烷基或烯基； (b) R2 是如上定义的碱性基团，R5 和 R6 共同构成亚烷基，或与吡啶环的附属碳原子共同构成苯环；R1 具有上文(a)定义的任何含义；R3 是氢、烷基或烯基；以及 (c) R2 具有上文定义的任何含义，R6 是式 -NR7.A- 的基团，其中 A 与 R1 一起构成乙烯、三亚甲基或四亚甲基链节，R7 是氢或烷基；R3 和 R5 独立地具有上文(a)定义的任何含义；其中 R4 是氢、环烷基、烷基、烯基、炔基或苯基烷基；Q 是苯基；或基团 Q.N(R4)-共同构成杂杂环基；Y 是生理上可接受的阴离子；所述苯基或苯基中的任何一个或多个可选择未被取代或带有一个或多个选定的取代基。 本发明还包括某些密切相关的烷基衍生物，它们与式 I 的化合物一样，对心血管系统具有有益的作用。此外，本发明还包括用于制造各种新型化合物的药物组合物和工艺。