N-[(6-azabicyclo[3.2.1]oct-5-yl)phenylmethyl]-1-benzyl-2-ethyl-5-(methoxy)-1H-indole-3-carboxamide | 1244123-58-7

• 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: N-[(6-azabicyclo[3.2.1]oct-5-yl)phenylmethyl]-1-benzyl-2-ethyl-5-(methoxy)-1H-indole-3-carboxamide
• 英文别名: N-[6-azabicyclo[3.2.1]octan-5-yl(phenyl)methyl]-1-benzyl-2-ethyl-5-methoxyindole-3-carboxamide
• CAS: 1244123-58-7
• 化学式: C₃₃H₃₇N₃O₂
• 分子量: 507.676
• InChiKey: OJXFZVIUPXKAJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  55.3
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• N-[(6-AZA-BICYCLO[3.2.1]OCT-5-YL)-ARYL-METHYL]-HETEROBENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE OF SAME
  申请人：Estenne-Bouhtou Geneviève

  公开号：US20120029027A1

  公开（公告）日：2012-02-02

  The invention relates to a compound of the general formula (I), where: R is a hydrogen atom or a group selected from the (C 1 -C 6 )alkyl or (C 3 -C 7 )-cycloalkyl groups, optionally substituted by one or more groups independently selected from a halogen atom anti the (C 3 -C 7 )-cycloalkyl, (C 1 -C 6 )alkyl, (C 1 -C 6 )alkoxy, and hydroxy groups; R 1 is a phenyl group optionally substituted by one or more substituents independently selected from halogen atoms and the (C 1 -C 6 )alkyl, (C 1 -C 6 )alkoxy, halo-(C 1 C 6 )alkyl, hydroxy, halo-(C 1 -C 6 )alkoxy, (C 1 -C 6 )alkyl-thio, (C 1 -C 6 )alkyl-SO, and (C 1 -C 6 )alkyl-SO 2 groups; R 2 is one or more substituents selected from a hydrogen atom, halogen atoms, and the 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, phenyl, benzyl, (C 1 -C 6 )alkoxy, (C 1 -C 6 )alkyl-thio, (C 1 -C 6 ))alkyl-SO, and (C 1 -C 6 )alkyl-SO 2 groups; and Het is a heteroaryl group; wherein said compound is in the form of a base or an acid addition salt. The invention also relates to the therapeutic use thereof and to a method for synthesising same.

  本发明涉及一种通式(I)的化合物，其中：R是氢原子或选自（C1-C6）烷基或（C3-C7）环烷基的基团，可以被一个或多个独立选自卤素原子和（C3-C7）环烷基，（C1-C6）烷基，（C1-C6）烷氧基和羟基的基团取代；R1是苯基，可以被一个或多个独立选自卤素原子和（C1-C6）烷基，（C1-C6）烷氧基，卤代（C1-C6）烷基，羟基，卤代（C1-C6）烷氧基，（C1-C6）烷基硫基，（C1-C6）烷基氧基和（C1-C6）烷基亚磺酸基的取代基取代；R2是一个或多个取代基，选自氢原子，卤素原子和卤代（C1-C6）烷基，（C1-C6）烷基，（C3-C7）环烷基，（C3-C7）环烷基-(C1-C3)烷基，苯基，苄基，（C1-C6）烷氧基，（C1-C6）烷基硫基，（C1-C6）烷基亚磺酸基和（C1-C6）烷基磺酸基；Het是杂环芳基；其中所述化合物为碱或酸加合盐形式。本发明还涉及其治疗用途和合成方法。