3-(1H-Imidazol-2-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone maleate

• 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: 3-(1H-Imidazol-2-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone maleate
• 英文别名: (Z)-but-2-enedioic acid;3-(1H-imidazol-2-yl)-1-(1-methylindol-3-yl)propan-1-one
• 化学式: C₄H₄O₄*C₁₅H₁₅N₃O
• 分子量: 369.377
• InChiKey: LCCCPDIEHUOIMY-BTJKTKAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.43
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  125
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  palladium oxide on carbon 、 1-(1-methyl-1H-indol-3-yl)-3-[1-(triphenylmethyl)-1H-imidazol-2-yl]-2-propen-1-one 、 顺丁烯二酸 生成 3-(1H-Imidazol-2-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone maleate
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Ketone Derivatives
  申请人：GLAXO GROUP LIMITED

  公开号：EP0307145A1

  公开（公告）日：1989-03-15

  The invention relates to ketones of the general formula (I): wherein R¹ represents a hydrogen atom or a group selected from C₁₋₆alkyl, C₃₋₆alkenyl, C₃₋₁₀alkynyl, C₃₋₇cycloalkyl, C₃₋₇cycloalkylC₁₋₄alkyl, phenyl, phenylC₁₋₃alkyl, -CO₂R⁸, -COR⁸, -CONR⁸R⁹ or -SO₂R⁸ (wherein R⁸ and R⁹, which may be the same of different, each represents a hydrogen atom, a C₁₋₆alkyl or C₃₋₇cycloalkyl group, or a phenyl or phenylC₁₋₄alkyl group, in which the phenyl group is optionally substituted by one or more C₁₋₄alkyl, C₁₋₄alkoxy or hydroxy groups or halogen atoms, with the proviso that R⁸ does not represent a hydrogen atom when R¹ represents a group -CO₂R⁸ or -SO₂R⁸); R² represents a hydrogen atom or a C₁₋₆alkyl, C₃₋₆alkenyl, C₃₋₇cycloalkyl, phenyl or phenylC₁₋₃alkyl group; R³ and R⁴, which may be the same of different, each represents a hydrogen atom or a C₁₋₆alkyl group; or R² and R³ may together represent an alkylene chain -(CH₂)n-, where n represents 1, 2 or 3; one of the groups represented by R⁵, R⁶ and R⁷ is a hydrogen atom or a C₁₋₆alkyl, C₃₋₇cycloalkyl, C₃₋₆alkenyl, phenyl or phenylC₁₋₃alkyl group, and each of the other two groups, which may be be same or different, represents a hydrogen atom or a C₁₋₆alkyl group; Q represents a hydrogen atom or a halogen atom or a hydroxy, C₁₋₄alkoxy, phenylC₁₋₃alkoxy or C₁₋₆alkyl group or a group -NR¹⁰R¹¹ or -CONR¹⁰R¹¹ (wherein R¹⁰ and R¹¹, which may be the same or different, each represents a hydrogen atom or a C₁₋₄alkyl or C₃₋₄alkenyl group, or together with the nitrogen atom to which they are attached form a saturated 5 to 7 membered ring); and physiologically acceptable salts and solvates thereof. The compounds are potent and selective antagonists of the effect of 5-HT and 5-HT₃ receptors and are useful, for example, in the treatment of psychotic disorders, anxiety, and nausea and vomiting.

  本发明涉及通式(I)的酮： 其中 R¹ 代表氢原子或选自 C₁₋₆烷基、C₃₋₆烯基、C₃₋₁₀ 烷基、C₃₋₇ 环烷基、C₃₋₇ 环烷基、C₁₋₄烷基苯基、C₁₋₃烷基、-CO₂R⁸、-COR⁸、-CONR⁸R⁹或-SO₂R⁸（其中 R⁸ 和 R𠞙 可以相同或不同，各自代表一个氢原子）、C₁₋₆ 烷基或 C₃₋₇ 环烷基，或苯基或苯基 C₁₋₄ 烷基，其中苯基任选被一个或多个 C₁₋₄ 烷基取代、R¹代表-CO₂R⁸或-SO₂R⁸基团时，R⁸不代表氢原子；） R² 代表氢原子或 C₁₋₆烷基、C₃₋₆烯基、C₃₋₇环烷基、苯基或苯基₁₋₃； R³ 和 R⁴（可以相同或不同）各自代表一个氢原子或一个 C₁₋₆ 烷基；或 R² 和 R³ 可共同代表亚烷基链-(CH₂)n-，其中 n 代表 1、2 或 3； R⁵、R⁶ 和 R⁷ 所代表的基团之一是氢原子或 C₁₋₆ 烷基、C₃₋₇ 环烷基、C₃₋₆、 Q 代表氢原子或卤原子或羟基、C₁₋₄烷氧基、苯基C₁₋₃烷氧基或 C₁₋₆烷基或基团 -NR¹⁰R¹¹ 或 -CONR¹⁰R¹¹ (其中 R¹⁰ 和 R¹、可相同或不同，各自代表一个氢原子或一个 C₁₋₄烷基或 C₃₋₄ 烯基，或与所连接的氮原子一起形成一个 5 至 7 个成员的饱和环）； 及其生理上可接受的盐和溶剂。 这些化合物是 5-HT 和 5-HT₃ 受体效应的强效选择性拮抗剂，可用于治疗精神障碍、焦虑、恶心和呕吐等疾病。
• US4950681A
  申请人：——

  公开号：US4950681A

  公开（公告）日：1990-08-21