2-Chloro-5-(3,4-dihydro-1,5-benzoxazepin-5(2H)-ylsulfonyl)aniline | 847171-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-Chloro-5-(3,4-dihydro-1,5-benzoxazepin-5(2H)-ylsulfonyl)aniline
• 英文别名: 2-chloro-5-(3,4-dihydro-2H-1,5-benzoxazepin-5-ylsulfonyl)aniline
• CAS: 847171-40-8
• 化学式: C₁₅H₁₅ClN₂O₃S
• 分子量: 338.815
• InChiKey: KGBUBOQCWDPPHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  81
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Fused pyramidine derivative and use thereof
  申请人：Hamamura Kazumasa

  公开号：US20070010537A1

  公开（公告）日：2007-01-11

  There are provided a fused pyrimidine compound having antagonistic activity against luteinizing hormone releasing hormone, and a medicine containing the compound. A luteinizing hormone releasing hormone antagonist containing a compound represented by the formula: wherein R 1a is a hydrocarbon group which may be substituted or a hydrogen atom, ring A a is a 6-membered aromatic ring which may be further substituted, ring B a is a homocyclic or heterocyclic ring which may be further substituted, W a is an oxygen atom or a sulfur atom, X a1 and X a2 , which may be identical or different, are each a hydrogen atom, a hydrocarbon group which may be substituted, or a heterocyclic group which may be substituted, or X a1 and X a2 together may form an oxygen atom, a sulfur atom or NR 3a (wherein R 3a is a hydrocarbon group which may be substituted or a hydrogen atom), and Y a is C 1-6 alkylene which may be substituted or a bond, or a salt or prodrug thereof.

  提供了一种融合嘧啶化合物，具有抗促黄体激素释放激素的拮抗活性，以及含有该化合物的药物。一种促黄体激素释放激素拮抗剂，包含以下式子所代表的化合物：其中，R1a是一个可以被取代的碳氢基团或氢原子，环A是一个可以进一步取代的6元芳香环，环B是一个可以进一步取代的同环或异环，Wa是一个氧原子或硫原子，Xa1和Xa2，可能相同或不同，是每个可以被取代的碳氢基团或杂环基团，或Xa1和Xa2在一起可以形成氧原子、硫原子或NR3a（其中R3a是一个可以被取代的碳氢基团或氢原子），而Y是C1-6烷基，可以被取代或成为键，或其盐或前药。
• NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES
  申请人：Yonekubo Shigeru

  公开号：US20100112090A1

  公开（公告）日：2010-05-06

  [Purpose] The present invention provides compounds useful as agents for the prevention or treatment of a sex hormone-dependent disease or the like. [Solution] The present invention provides nitrogen-containing fused ring derivatives represented by the following general formula (I) which has a GnRH antagonistic activity, prodrugs, salts, pharmaceutical compositions containing the same, medicinal uses thereof and the like. In the formula (I), rings A and B are independently aryl or heteroaryl; R A and R B are independently halogen, cyano, alkyl, alkylsulfonyl, —OW 1 , —SW 1 , —COW 2 , —NW 3 W 4 , —SO 2 NW 3 W 4 , aryl, etc.; R C is H or alkyl; E is oxygen atom, etc.; U is single bond or alkylene; and X is Y, —CO—Y, —SO 2 —Y, —S-(alkylene)-Y, —O-(alkylene)-Y, —SO 2 -(alkylene)-Y, etc.; Y is Z or amino, etc.; and Z is cycloalkyl, heterocycloalkyl, aryl, heteroaryl, etc.

  [目的]本发明提供一种化合物，可用作预防或治疗性激素依赖性疾病等药物。 [解决方案]本发明提供一种氮杂环融合衍生物，其具有GnRH拮抗活性，包括前药、盐、含有该化合物的药物组成物、药物用途等。该化合物的通式(I)如下：在式(I)中，环A和环B独立地是芳基或杂芳基；RA和RB独立地是卤素、氰基、烷基、烷基磺酰、—OW1、—SW1、—COW2、—NW3W4、—SO2NW3W4、芳基等；RC是氢或烷基；E是氧原子等；U是单键或烷基；X是Y、—CO—Y、—SO2—Y、—S-(烷基)-Y、—O-(烷基)-Y、—SO2-(烷基)-Y等；Y是Z或氨基等；Z是环烷基、杂环烷基、芳基、杂芳基等。
• FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1657238A1

  公开（公告）日：2006-05-17

  There are provided a fused pyrimidine compound having antagonistic activity against luteinizing hormone releasing hormone, and a medicine containing the compound. A luteinizing hormone releasing hormone antagonist containing a compound represented by the formula: wherein R1a is a hydrocarbon group which may be substituted or a hydrogen atom, ring Aa is a 6-membered aromatic ring which may be further substituted, ring Ba is a homocyclic or heterocyclic ring which may be further substituted, Wa is an oxygen atom or a sulfur atom, Xa1 and Xa2, which may be identical or different, are each a hydrogen atom, a hydrocarbon group which may be substituted, or a heterocyclic group which may be substituted, or Xa1 and Xa2 together may form an oxygen atom, a sulfur atom or NR3a (wherein R3a is a hydrocarbon group which may be substituted or a hydrogen atom), and Ya is C1-6 alkylene which may be substituted or a bond, or a salt or prodrug thereof.

  提供了一种对黄体生成素释放激素具有拮抗活性的融合嘧啶化合物，以及一种含有该化合物的药物。一种黄体生成素释放激素拮抗剂含有由式表示的化合物： 其中 R1a 是可被取代的烃基或氢原子、 环 Aa 是可被进一步取代的 6 元芳香环、 环 Ba 是可被进一步取代的同环或杂环、 Wa 是氧原子或硫原子、 Xa1 和 Xa2（可以相同或不同）各自是氢原子、可被取代的烃基或可被取代的杂环基，或 Xa1 和 Xa2 可共同形成氧原子、硫原子或 NR3a（其中 R3a 是可被取代的烃基或氢原子），以及 Ya 是可被取代的 C1-6 亚烷基或键，或其盐或原药。
• US8217069B2
  申请人：——

  公开号：US8217069B2

  公开（公告）日：2012-07-10