methyl 3-(6-methoxy-2-phenyl-1H-indol-3-ylmethyl)benzoate | 1262875-34-2

• 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: methyl 3-(6-methoxy-2-phenyl-1H-indol-3-ylmethyl)benzoate
• 英文别名: methyl 3-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate
• CAS: 1262875-34-2
• 化学式: C₂₄H₂₁NO₃
• 分子量: 371.436
• InChiKey: NDXNQELKIFQJQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  51.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  tert-butyl (5-methoxy-2-(2-oxo-2-phenylethyl)phenyl)carbamate 在 三乙基硅烷 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 methyl 3-(6-methoxy-2-phenyl-1H-indol-3-ylmethyl)benzoate
  参考文献：
  名称：

  INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF

  摘要：

  本发明的一种以通式(I)表示的化合物，具有EP1受体拮抗作用：[其中A代表苯环或类似物；Y代表C1-6烷基链或类似物；RN代表氢原子或C1-6烷基链；R1代表氢原子、C1-6烷基链或类似物；R2代表苯基，可能有取代基；可能有取代基的5元芳香杂环基，可能有取代基的6元芳香杂环基或类似物；R3代表卤原子、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)可用作治疗或预防下尿路症状，特别是OAB的各种症状的药剂。

  公开号：

  US20120122931A1

文献信息

• INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF
  申请人：Tatani Kazuya

  公开号：US20130317065A1

  公开（公告）日：2013-11-28

  The present invention provides a compound represented by the general formula (I) of the present invention, which has EP 1 receptor antagonism: wherein A represents a benzene ring, a pyridine ring, or the like; Y 1 represents a C 1-6 alkylene group or the like; Y 2 represents a single bond or the like; Z represents —C(═O)—NHSO 2 R 6 , an acidic 5-membered hetero ring group, or the like; R 1 represents a hydrogen atom or the like; R 2 represents a phenyl group, a 5-membered aromatic heterocyclic group, or the like; R 3 represents a halogen atom, a C 1-6 alkoxy group, or the like; R 4 represents a hydrogen atom, a halogen atom, or the like; R 5 represents a hydrogen atom or the like; and R 6 represents a C 1-6 alkyl group or the like], or a pharmaceutically acceptable salt thereof. 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.

  本发明提供了一种化合物，其表示为本发明的一般式（I），具有EP1受体拮抗作用：其中A代表苯环、吡啶环或类似物；Y1代表C1-6烷基或类似物；Y2代表单键或类似物；Z代表—C(═O)—NHSO2R6、酸性5-成员杂环基团或类似物；R1代表氢原子或类似物；R2代表苯基、5-成员芳香杂环基团或类似物；R3代表卤原子、C1-6烷氧基或类似物；R4代表氢原子、卤原子或类似物；R5代表氢原子或类似物；R6代表C1-6烷基或类似物，或其药学上可接受的盐。此外，本发明的化合物（I）可用作治疗或预防LUTS的药剂，特别是OABs的各种症状。
• INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT OF SAME
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP2669272A1

  公开（公告）日：2013-12-04

  The present invention provides a compound represented by the general formula (I) of the present invention, which has EP1 receptor antagonism: [wherein A represents a benzene ring, a pyridine ring, or the like; Y1 represents a C1-6 alkylene group or the like; Y2 represents a single bond or the like; Z represents -C(=O)-NHSO2R6, an acidic 5-membered hetero ring group, or the like; R1 represents a hydrogen atom or the like; R2 represents a phenyl group, a 5-membered aromatic heterocyclic group, or the like; R3 represents a halogen atom, a C1-6 alkoxy group, or the like; R4 represents a hydrogen atom, a halogen atom, or the like; R5 represents a hydrogen atom or the like; and R6 represents a C1-6 alkyl group or the like], or a pharmaceutically acceptable salt thereof. 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.

  本发明提供了一种由本发明通式（I）代表的化合物，它具有 EP1 受体拮抗作用： [其中 A 代表苯环、吡啶环或类似物；Y1 代表 C1-6 亚烷基或类似物；Y2 代表单键或类似物；Z 代表 -C(＝O)-NHSO2R6、酸性 5 元杂环基团或类似物；R1 代表氢原子或类似物；R2 代表苯基、5 元芳香杂环基团或类似基团； R3 代表卤素原子、C1-6 烷氧基或类似基团； R4 代表氢原子、卤素原子或类似基团； R5 代表氢原子或类似基团；以及 R6 代表 C1-6 烷基或类似基团]，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。
• US8815903B2
  申请人：——

  公开号：US8815903B2

  公开（公告）日：2014-08-26
• INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：Kondo Tatsuhiro

  公开号：US20120122931A1

  公开（公告）日：2012-05-17

  A compound represented by the general formula (I) of the present invention, which has an EP 1 receptor antagonism: [wherein A represents a benzene ring or the like; Y represents a C 1-6 alkylene group or the like; R N represents a hydrogen atom or a C 1-6 alkyl group; 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 group which may have a substituent, a 6-membered aromatic heterocyclic group 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.

  本发明的一种以通式(I)表示的化合物，具有EP1受体拮抗作用：[其中A代表苯环或类似物；Y代表C1-6烷基链或类似物；RN代表氢原子或C1-6烷基链；R1代表氢原子、C1-6烷基链或类似物；R2代表苯基，可能有取代基；可能有取代基的5元芳香杂环基，可能有取代基的6元芳香杂环基或类似物；R3代表卤原子、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)可用作治疗或预防下尿路症状，特别是OAB的各种症状的药剂。