1-[5-[(2-cyclopropyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-2-thienyl]-3-cyclopentene-1-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 1-[5-[(2-cyclopropyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-2-thienyl]-3-cyclopentene-1-carboxylic acid
• 英文别名: 1-[5-(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-ylmethyl)thiophen-2-yl]cyclopent-3-ene carboxylic acid；1-[5-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]thiophen-2-yl]cyclopent-3-ene-1-carboxylic acid
• 化学式: C₂₂H₂₃N₃O₂S
• 分子量: 393.51
• InChiKey: WAOGHRFLOKDOJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  96.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[5-[(2-cyclopropyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-2-thienyl]-3-cyclopentene-1-carboxylic acid 、 三氟甲磺酰胺 生成 1-[5-(2-Cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-ylmethyl)thiophen-2-yl]cyclopenten-3-ene carboxylic acid trifluoromethanesulfonamide
  参考文献：
  名称：

  Azacyclic-heterocyclic compounds as angiotension II receptor antagonists

  摘要：

  化合物的式子为##STR1##其中：Q是萘基，杂环或杂双环基；R1和R2，当单独取时，是氢，羟基，烷基，烷基硫，烷基亚磺酰，烷基磺酰，苯基，杂环或杂双环基；当R1和R2一起取时，形成一个碳环，碳双环，杂环或杂双环基；R3是--(CH2)nCOR4，四唑基，烷基四唑基，三唑基，烷基三唑基，--(CH2)nCH2OH，--SO2R4，--SO2NR5R6或--NHSO2R7；R4是氢，羟基，--NR5R6，--NHSO2R7，烷氧基，烷基硫，--NR5R6，--NHSO2R7或--OY；n为0至5；Y是药物可接受的阳离子或在生理条件下可水解的基团；当R5和R6单独取时，是氢，烷基，--CONRR，--COOR或--CO（C6H5）；当R5和R6一起取时，形成一个氮杂环；R7是烷基或苯基；每个R是氢或烷基，X是氮杂环或氮杂双环基，在哺乳动物中抑制血管紧张素II，对治疗高血压，充血性心力衰竭和青光眼等疾病有用，并作为治疗这些疾病的药物组成部分的有效成分。

  公开号：

  US05789415A1
• 作为产物：
  描述：

  1-[5-(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl-methyl)thiophen-2-yl]cyclopent-3-ene carboxylic acid ethyl ester 生成 1-[5-[(2-cyclopropyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-2-thienyl]-3-cyclopentene-1-carboxylic acid
  参考文献：
  名称：

  Azacyclic-heterocyclic compounds as angiotension II receptor antagonists

  摘要：

  公式##STR1##的化合物，其中：Q是萘基，杂环或杂双环；当单独考虑时，R.sup.1和R.sup.2分别是氢，羟基，烷基，烷基亚硫酰，烷基亚磺酰，苯基，杂环或杂双环；当一起考虑时，R.sup.1和R.sup.2形成一个碳环，碳双环，杂环或杂双环组；R.sup.3是--(CH.sub.2).sub.n COR.sup.4，四唑基，烷基四唑基，三唑基，烷基三唑基，--(CH.sub.2).sub.n CH.sub.2 OH，--SO.sub.2 R.sup.4，--SO.sub.2 NR.sup.5 R.sup.6或--NHSO.sub.2 R.sup.7；R.sup.4是氢，羟基，--NR.sup.5 R.sup.6，--NHSO.sub.2 R.sup.7，烷氧基，烷基亚硫酰，--NR.sup.5 R.sup.6，--NHSO.sub.2 R.sup.7或--OY；n是0到5；Y是药物可接受的阳离子或生理条件下可水解的团；当单独考虑时，R.sup.5和R.sup.6分别是氢，烷基，--CONRR，--COOR或--CO(C.sub.6 H.sub.5)；当一起考虑时，R.sup.5和R.sup.6形成一个氮杂环；R.sup.7是烷基或苯基；每个R是氢或烷基，X是氮杂环或氮杂双环组，抑制哺乳动物中的血管紧张素II，并可用于治疗如高血压，充血性心力衰竭和青光眼等疾病，并作为治疗这些疾病的药物组合物中的活性成分。

  公开号：

  US05789415A1

文献信息

• Method of treatment or prophylaxis
  申请人：Smith Therese Maree

  公开号：US20060223741A1

  公开（公告）日：2006-10-05

  The present invention is directed to methods and agents that are useful in the prevention and amelioration of signs and symptoms associated with neuropathic conditions. More particularly, the present invention discloses the use of angiotensin II receptor 2 (AT 2 receptor) antagonists for the treatment, prophylaxis, reversal and/or symptomatic relief of neuropathic pain, including mechanical hyperalgesia, thermal or mechanical allodynia, diabetic pain and entrapment pain, in vertebrate animals and particularly in human subjects. The AT 2 receptor antagonists may be provided alone or in combination with other compounds such as those that are useful in the control of neuropathic conditions.

  本发明涉及有助于预防和改善与神经病变相关的体征和症状的方法和制剂。更具体地说，本发明公开了血管紧张素 II 受体 2（AT 2 受体）拮抗剂用于治疗、预防、逆转和/或症状缓解脊椎动物，特别是人类受试者的神经性疼痛，包括机械性痛觉减退、热敏或机械异感、糖尿病痛和内陷痛。AT 2 受体拮抗剂可单独使用，也可与其他化合物（如有助于控制神经病理性症状的化合物）联合使用。
• METHOD OF TREATMENT OR PROPHYLAXIS
  申请人：THE UNIVERSITY OF QUEENSLAND

  公开号：EP1830869A1

  公开（公告）日：2007-09-12
• METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN
  申请人：THE UNIVERSITY OF QUEENSLAND

  公开号：EP1996183A1

  公开（公告）日：2008-12-03
• Medical devices and methods for local delivery of angiotensin II type 2 receptor antagonists
  申请人：Biggs David Paul

  公开号：US20090177267A1

  公开（公告）日：2009-07-09

  This invention relates to medical devices and an angiotensin II type 2 (AT 2 ) receptor antagonist compound, the medical device being adapted to release the AT 2 receptor antagonist compound within a body of a patient. This invention also relates to medical devices and methods of treatment of disease, such as aneurysms and aortic dissection. Medical devices may include coated stents, grafts, stent grafts, balloons and catheters.
• METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATORY PAIN
  申请人：Smith Maree Therese

  公开号：US20100292159A1

  公开（公告）日：2010-11-18

  This invention discloses the use of angiotensin II receptor 2 (AT 2 receptor) antagonists for the treatment, prophylaxis, reversal and/or symptomatic relief of inflammatory pain, including hyperalgesia, thermal or mechanical allodynia, in vertebrate animals and particularly in human subjects. The AT 2 receptor antagonists may be provided alone or in combination with other compounds such as those that are useful in the control of inflammatory conditions.