3-[5-({1-[(tert-butoxycarbonyl)(methyl)amino]cyclopropyl}methoxy)-2-methylpyridin-3-yl]benzoic acid | 1232362-94-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-[5-({1-[(tert-butoxycarbonyl)(methyl)amino]cyclopropyl}methoxy)-2-methylpyridin-3-yl]benzoic acid
• 英文别名: 3-[2-Methyl-5-[[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]pyridin-3-yl]benzoic acid
• CAS: 1232362-94-5
• 化学式: C₂₃H₂₈N₂O₅
• 分子量: 412.486
• InChiKey: KTPMJHIFWZEMSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them
  申请人：Goldstein Solo

  公开号：US20100317698A1

  公开（公告）日：2010-12-16

  Compounds of formula (I): wherein: n represents an integer of from 1 to 6 inclusive, X represents an oxygen atom or an NR 6 group, Y represents a carbon atom or a nitrogen atom, Z represents a carbon atom or a nitrogen atom, R 1 and R 2 represent a hydrogen atom or an alkyl or arylalkyl group, R 3 and R 4 represent a hydrogen atom or an alkyl group, R 5 represents a hydrogen atom or an alkyl, halogen, hydroxy, alkoxy, cyano, nitro, acyl, alkoxycarbonyl, trihaloalkyl, trihaloalkoxy or optionally substituted amino group, R 6 represents a hydrogen atom or an alkyl or arylalkyl group, Ra, Rb, Rc, Rd and Re are as defined in the description. Medicinal products containing the same which are useful as specific nicotinic ligands of α4β2 receptors.

  式（I）的化合物中：其中：n代表1至6之间的整数，X代表氧原子或NR6基团，Y代表碳原子或氮原子，Z代表碳原子或氮原子，R1和R2代表氢原子或烷基或芳基烷基，R3和R4代表氢原子或烷基，R5代表氢原子或烷基、卤素、羟基、烷氧基、氰基、硝基、酰基、烷氧羰基、三卤代烷基、三卤代烷氧基或可选取代氨基，R6代表氢原子或烷基或芳基烷基，Ra、Rb、Rc、Rd和Re如描述中所定义。含有这些化合物的药物制剂，可用作α4β2受体的特异性烟碱酸配体。