4-Benzyloxy-2-bromo-5-chloroaniline | 1263299-93-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-Benzyloxy-2-bromo-5-chloroaniline
• 英文别名: 2-bromo-5-chloro-4-phenylmethoxyaniline
• CAS: 1263299-93-9
• 化学式: C₁₃H₁₁BrClNO
• 分子量: 312.593
• InChiKey: VBBKEEPTQUSYKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-benzyloxy-3-chloroaniline 在 溴 、 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 2.25h， 生成 4-Benzyloxy-2-bromo-5-chloroaniline
  参考文献：
  名称：

  INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF

  摘要：

  本发明提供了一种具有EP1受体拮抗作用的化合物（I）[其中A代表苯环或类似结构；Y1代表C1-6烷基亚基；Y2代表单键或类似结构；R1代表氢原子、C1-6烷基团或类似结构；R2代表可能含有取代基的苯基、可能含有取代基的5元芳香杂环、可能含有取代基的6元芳香杂环或类似结构；R3代表卤素原子、C1-6烷氧基团或类似结构；R4代表氢原子或类似结构；R5代表氢原子或类似结构]或其药物可接受的盐。此外，本发明的化合物（I）可用作治疗或预防LUTS的药物，特别是OAB的各种症状。

  公开号：

  US20120129890A1

文献信息

• Indole derivative or pharmaceutically acceptable salt thereof
  申请人：Tatani Kazuya

  公开号：US08680120B2

  公开（公告）日：2014-03-25

  A compound (I) of the present invention, which has an EP1 receptor antagonism: [wherein A represents a benzene ring or the like; Y1 represents a C1-6 alkylene group; Y2 represents a single bond or the like; R1 represents a hydrogen atom, a C1-6 alkyl group or the like; R2 represents a phenyl group which may have a substituent, a 5-membered aromatic heterocyclic ring which may have a substituent, a 6-membered aromatic heterocyclic ring which may have a substituent or the like; R3 represents a halogen atom, a C1-6 alkoxy group or the like; R4 represents a hydrogen atom or the like; and R5 represents a hydrogen atom or the like] or a pharmaceutically acceptable salt thereof is provided. Furthermore, the compound (I) of the present invention can be used as an agent for treating or preventing LUTS, in particular, various symptoms of OABs.

  本发明提供了一种具有EP1受体拮抗作用的化合物(I)：[其中，A代表苯环或类似物；Y1代表C1-6烷基；Y2代表单键或类似物；R1代表氢原子，C1-6烷基或类似物；R2代表苯基，可以有取代基，也可以是5-成员芳香族杂环环，可以有取代基，也可以是6-成员芳香族杂环环，可以有取代基或类似物；R3代表卤素原子，C1-6烷氧基或类似物；R4代表氢原子或类似物；R5代表氢原子或类似物]或其药学上可接受的盐。此外，本发明的化合物(I)可以用作治疗或预防下尿路症状，特别是膀胱过度活动症的各种症状的药物。
• INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP2460791A1

  公开（公告）日：2012-06-06

  A compound (I) of the present invention, which has an EP1 receptor antagonism: [wherein A represents a benzene ring or the like; Y1 represents a C1-6 alkylene group; Y2represents a single bond or the like; R1 represents a hydrogen atom, a C1-6 alkyl group or the like; R2represents a phenyl group which may have a substituent, a 5-membered aromatic heterocyclic ring which may have a substituent, a 6-membered aromatic heterocyclic ring which may have a substituent or the like; R3represents a halogen atom, a C1-6 alkoxy group or the like; R4 represents a hydrogen atom or the like; and R5 represents a hydrogen atom or the like] or a pharmaceutically acceptable salt thereof is provided. Furthermore, the compound (I) of the present invention can be used as an agent for treating or preventing LUTS, in particular, various symptoms of OABs.

  具有 EP1 受体拮抗作用的本发明化合物 (I)： [其中 A 代表苯环或类似物；Y1 代表 C1-6 亚烷基；Y2 代表单键或类似物；R1 代表氢原子、C1-6 烷基或类似物；R2 代表可能具有取代基的苯基、可能具有取代基的 5 元芳香杂环、可能具有取代基的 6 元芳香杂环或类似物；R3代表卤素原子、C1-6烷氧基或类似基团；R4代表氢原子或类似基团；R5代表氢原子或类似基团]或其药学上可接受的盐。此外，本发明的化合物（I）可用作治疗或预防 LUTS，特别是 OABs 的各种症状的制剂。
• US8680120B2
  申请人：——

  公开号：US8680120B2

  公开（公告）日：2014-03-25
• INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：Tatani Kazuya

  公开号：US20120129890A1

  公开（公告）日：2012-05-24

  A compound (I) of the present invention, which has an EP 1 receptor antagonism: [wherein A represents a benzene ring or the like; Y 1 represents a C 1-6 alkylene group; Y 2 represents a single bond or the like; R 1 represents a hydrogen atom, a C 1-6 alkyl group or the like; R 2 represents a phenyl group which may have a substituent, a 5-membered aromatic heterocyclic ring which may have a substituent, a 6-membered aromatic heterocyclic ring which may have a substituent or the like; R 3 represents a halogen atom, a C 1-6 alkoxy group or the like; R 4 represents a hydrogen atom or the like; and R 5 represents a hydrogen atom or the like] or a pharmaceutically acceptable salt thereof is provided. Furthermore, the compound (I) of the present invention can be used as an agent for treating or preventing LUTS, in particular, various symptoms of OABs.

  本发明提供了一种具有EP1受体拮抗作用的化合物（I）[其中A代表苯环或类似结构；Y1代表C1-6烷基亚基；Y2代表单键或类似结构；R1代表氢原子、C1-6烷基团或类似结构；R2代表可能含有取代基的苯基、可能含有取代基的5元芳香杂环、可能含有取代基的6元芳香杂环或类似结构；R3代表卤素原子、C1-6烷氧基团或类似结构；R4代表氢原子或类似结构；R5代表氢原子或类似结构]或其药物可接受的盐。此外，本发明的化合物（I）可用作治疗或预防LUTS的药物，特别是OAB的各种症状。