1-(3-nitro-4-chloro-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine | 847170-59-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 1-(3-nitro-4-chloro-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine
• 英文别名: 1-((4-Chloro-3-nitrophenyl)sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepine；1-(4-chloro-3-nitrophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine
• CAS: 847170-59-6
• 化学式: C₁₆H₁₅ClN₂O₄S
• 分子量: 366.825
• InChiKey: OWJOCDNPMFPXKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(3-nitro-4-chloro-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine 在 sodium dithionite 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 生成 2-chloro-5-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenylamine
  参考文献：
  名称：

  WO2008/124614

  摘要：

  公开号：
• 作为产物：
  描述：

  2,3,4,5-四氢-1H-苯并[b]氮杂卓 、 4-氯-3-硝基苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 1-(3-nitro-4-chloro-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine
  参考文献：
  名称：

  WO2008/124614

  摘要：

  公开号：

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。
• GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO
  申请人：Ashweek Neil

  公开号：US20100184741A1

  公开（公告）日：2010-07-22

  GnRH receptor antagonists are disclosed which have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein R 1a , R 1b , R 1c , R 1d , R 2 , R 2a , and A are as defined herein, including stereoisomers, esters, solvates, and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明揭示了具有在男性和女性中治疗各种性激素相关疾病用途的GnRH受体拮抗剂。本发明的化合物具有以下结构：其中R1a，R1b，R1c，R1d，R2，R2a和A如此定义，包括立体异构体，酯类，溶剂化物和其药学上可接受的盐。还揭示了含有本发明化合物与药学上可接受的载体结合的组合物，以及与其相关的用于在需要时拮抗促性腺激素释放激素的方法。
• Gonadotropin-releasing hormone receptor antagonists and methods relating thereto
  申请人：Neurocrine Biosciences, Inc.

  公开号：US08263588B2

  公开（公告）日：2012-09-11

  GnRH receptor antagonists are disclosed which have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein R1a, R1b, R1c, R1d, R2, R2a, and A are as defined herein, including stereoisomers, esters, solvates, and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明揭示了具有在男性和女性中治疗各种与性激素相关的疾病的效用的GnRH受体拮抗剂。该发明的化合物具有以下结构：其中R1a，R1b，R1c，R1d，R2，R2a和A如本文所定义，包括立体异构体，酯类，溶剂化合物和其药学上可接受的盐。本发明还揭示了含有本发明化合物与药学上可接受的载体组合的组合物，以及与之相关的方法，用于在需要拮抗促性腺激素释放激素的受体的主体中使用。
• 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。
• US8263588B2
  申请人：——

  公开号：US8263588B2

  公开（公告）日：2012-09-11