N-(diaminomethylene)-8-hydroxy-8H-indeno[2,1-b]thiophene-6-carboxamide | 925927-91-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: N-(diaminomethylene)-8-hydroxy-8H-indeno[2,1-b]thiophene-6-carboxamide
• 英文别名: N-(diaminomethylidene)-4-hydroxy-4H-indeno[2,1-b]thiophene-6-carboxamide
• CAS: 925927-91-9
• 化学式: C₁₃H₁₁N₃O₂S
• 分子量: 273.315
• InChiKey: CYRFQRVDYREVTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  130
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(diaminomethylene)-8-oxo-8H-indeno[2,1-b]thiophene-6-carboxamide 在 sodium borohydrid 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 N-(diaminomethylene)-8-hydroxy-8H-indeno[2,1-b]thiophene-6-carboxamide
  参考文献：
  名称：

  ACYLGUANIDINE DERIVATIVE OR SALT THEREOF

  摘要：

  公开号：

  EP1923387B1

文献信息

• Acylguanidine derivative or salt thereof
  申请人：Astellas Pharma Inc.

  公开号：US08076348B2

  公开（公告）日：2011-12-13

  [Problem] To provide a compound which can be used in the prevention and/or treatment of diseases in which 5-HT2B receptor and 5-HT7 receptor are concerned, particularly in the treatment of irritable bowel syndrome (IBS) and/or prevention of migraine. [Means for Resolution] It was found that an acylguanidine derivative having a tricyclic structure or a pharmaceutically acceptable salt thereof has a strong antagonism to 5-HT2B receptor and 5-HT7 receptor. In addition, the compound of the present invention having antagonism to both of the receptors showed superior pharmacological action in comparison with the case of the single use of an antagonist selective for either one of the receptors. Based on the above, the compound of the present invention is useful in preventing and/or treating diseases in which 5-HT2B receptor and 5-HT7 receptor are concerned, particularly in treating irritable bowel syndrome (IBS) and/or preventing migraine.

  [问题] 提供一种可以用于预防和/或治疗与5-HT2B受体和5-HT7受体有关的疾病的化合物，特别是用于治疗肠易激综合征（IBS）和/或预防偏头痛。 [解决方法] 发现一种具有三环结构的酰基胍衍生物或其药学上可接受的盐具有对5-HT2B受体和5-HT7受体的强烈拮抗作用。此外，本发明的化合物具有对两种受体的拮抗作用，与单独使用选择性拮抗剂相比表现出卓越的药理作用。基于上述，本发明的化合物在预防和/或治疗与5-HT2B受体和5-HT7受体有关的疾病中特别有用，特别是在治疗肠易激综合征（IBS）和/或预防偏头痛方面。
• US8076348B2
  申请人：——

  公开号：US8076348B2

  公开（公告）日：2011-12-13