Methyl 1-amino-2,5-dimethyl-4-((2-methyl-1-piperidinyl)carbonyl)-1H-pyrrole-3-carboxylate | 120935-90-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: Methyl 1-amino-2,5-dimethyl-4-((2-methyl-1-piperidinyl)carbonyl)-1H-pyrrole-3-carboxylate
• 英文别名: Methyl 1-amino-2,5-dimethyl-4-(2-methylpiperidine-1-carbonyl)pyrrole-3-carboxylate
• CAS: 120935-90-2
• 化学式: C₁₅H₂₃N₃O₃
• 分子量: 293.366
• InChiKey: XUTBUOLKTKYGSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  77.6
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them
  申请人：FISONS plc

  公开号：EP0300688A1

  公开（公告）日：1989-01-25

  Compounds of formula I, wherein R₁, R₂, R₃ and R₅ have the meanings defined in the specification, G2 represents a chain -(CH₂)z(W)y-, in which W has various meanings including C=O, and up to two of the methylene segments in the chain (CH₂)z are optionally replaced by -NH- and one segment is optionally replaced by -O- or -(C=NR₄₀)-, and the chain is optionally unsaturated and optionally substituted, and A is a 5- or 6-membered ring or a bicyclic or tricyclic fused ring system, A being optionally substituted by various substituents, possess useful pharmacological properties, in particular as cardiotonics. Also described are processes for the preparation of compounds of formula I, pharmaceutical compositions containing them and methods of treatment involving their use.

  式I的化合物，其中R₁、R₂、R₃和R₅的含义如规范中定义，G2代表一个链-(CH₂)z(W)y-，其中W具有包括C=O在内的各种含义，并且链中的(CH₂)z的最多两个亚甲基段可以选择性地被-NH-替换，一个段可以选择性地被-O-或-(C=NR₄₀)-替换，链可以是不饱和的和/或选择性地被取代的，A是一个5-或6-成员环或一个双环或三环融合环系统，A可以选择性地被各种取代基取代，具有有用的药理学性质，尤其是作为心力衰竭药。还描述了制备式I化合物的方法、含有它们的制药组合物以及涉及其使用的治疗方法。