2-amino-N-[(2-azabicyclo[2.1.1]hex-1-yl)(phenyl)methyl]-5-bromo-4-chlorobenzamide | 1240015-96-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-amino-N-[(2-azabicyclo[2.1.1]hex-1-yl)(phenyl)methyl]-5-bromo-4-chlorobenzamide
• 英文别名: 2-amino-N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-5-bromo-4-chlorobenzamide
• CAS: 1240015-96-6
• 化学式: C₁₉H₁₉BrClN₃O
• 分子量: 420.736
• InChiKey: FFRXPQMJDCRXCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  67.2
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• N-[(2-AZABICYCLO[2.1.1]HEX-1-YL)-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF
  申请人：Dargazanli Gihad

  公开号：US20120071536A1

  公开（公告）日：2012-03-22

  The invention relates to N-[(2-aza-bicyclo[2.2.1]hex-1-yl)-aryl-methyl]-benzamide derivatives of the general formula (I) where: R is a hydrogen atom or a (C 1 -C 6 )alkyl group, (C 3 -C 7 )-cycloalkyl, optionally substituted by one or more fluorine, (C 3 -C 7 )-cycloalkyl, (C 2 -C 4 )alkenyl, phenyl, (C 1 -C 6 )alkoxy, hydroxy; R 1 is phenyl or naphtyl optionally substituted by one or more halogen, (C 1 -C 6 )alkyl, (C 1 -C 6 )alkoxy, halo-(C 1 -C 6 )alkyl, NR 4 R 5 , (C 1 -C 6 )alkylthio, (C 1 -C 6 )alkyl-SO 2 , phenyl or heteroaryl; R 2 is one or more hydrogen or halogen atoms, halo-(C 1 -C 6 )alkyl, (C 1 -C 6 )alkyl, (C 3 -C 7 )cycloalkyl, (C 3 -C 7 )-cycloalkyl-(C 1 -C 3 )alkyl; R 3 , R 4 and R 5 are independently a hydrogen atom or a (C 1 -C 6 )alkyl group; R 6 is a (C 1 -C 6 )alkyl group; R 3 and R 4 as well as R 3 and R 6 may form, together with the atoms having them, a 5- or 6-member ring; R 4 and R 5 may form together a ring selected from azetidine, pyrrolidine, piperidine, morpholine, thiomorpholine, piperazine, azepine, optionally substituted by a (C 1 -C 6 )alkyl group. The invention also relates to the therapeutic use thereof and to a method for synthesizing same.

  该发明涉及一般式(I)的N-[(2-aza-bicyclo[2.2.1]hex-1-yl)-aryl-methyl]-苯甲酰胺衍生物，其中：R为氢原子或(C1-C6)烷基，(C3-C7)环烷基，可选择地取代一个或多个氟，(C3-C7)环烷基，(C2-C4)烯基，苯基，(C1-C6)氧烷基，羟基；R1为苯基或萘基，可选择地取代一个或多个卤素，(C1-C6)烷基，(C1-C6)氧烷基，卤代(C1-C6)烷基，NR4R5，(C1-C6)硫基烷基，(C1-C6)烷基-SO2，苯基或杂环烷基；R2为一个或多个氢或卤素原子，卤代(C1-C6)烷基，(C1-C6)烷基，(C3-C7)环烷基，(C3-C7)环烷基-(C1-C3)烷基；R3、R4和R5独立地为氢原子或(C1-C6)烷基；R6为(C1-C6)烷基；R3和R4以及R3和R6可以与其相邻原子共同形成5-或6-成员环；R4和R5可以共同形成从氮杂环丙烷、吡咯烷、哌啶、吗啉、硫代吗啉、哌嗪、环庚烯中选择的一个环，可选择地取代一个(C1-C6)烷基。该发明还涉及其治疗用途和合成方法。