[2-amino-(4-(4-(pyridin-3-yl)piperazin-1-yl)methyl)thiophen-3-yl](4-chlorophenyl)methanone | 1027492-90-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2-amino-(4-(4-(pyridin-3-yl)piperazin-1-yl)methyl)thiophen-3-yl](4-chlorophenyl)methanone
• 英文别名: [2-Amino-4-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophen-3-yl]-(4-chlorophenyl)methanone
• CAS: 1027492-90-5
• 化学式: C₂₁H₂₁ClN₄OS
• 分子量: 412.943
• InChiKey: JKXQLDDFLKSYTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  90.7
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR
  申请人：Baraldi Pier Giovanni

  公开号：US20080119460A1

  公开（公告）日：2008-05-22

  The present invention provides compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 and Q have a meaning as defined herein in the specification. The compounds of formula (I) are allosteric modulators of the A 1 adenosine receptor and, thus, may be employed for the treatment of conditions mediated by the A 1 adenosine receptor. Accordingly, the compounds of formula (I) may be employed for treatment of pain, in particular, chronic pain such as neuropathic pain; cardiac disease or disorder such as cardiac disarrhythmias, e.g., peroxysmal supraventricular tachycardia, angina, myocardial infarction and stroke; neurological disease or injury; sleep disorder; epilepsy; and depression.

  本发明提供了式（I）的化合物，其中R1、R2、R3、R4和Q在本说明书中有定义。式（I）的化合物是A1腺苷受体的变构调节剂，因此可用于治疗由A1腺苷受体介导的疾病。因此，式（I）的化合物可用于治疗疼痛，特别是慢性疼痛如神经病痛；心脏疾病或紊乱，如心律失常，如阵发性室上性心动过速，心绞痛，心肌梗死和中风；神经系统疾病或损伤；睡眠障碍；癫痫；和抑郁症。
• Allosteric Modulators of the A1 Adenosine Receptor
  申请人：Baraldi Pier Giovanni

  公开号：US20110053917A1

  公开（公告）日：2011-03-03

  The present invention provides compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 and Q have a meaning as defined herein in the specification. The compounds of formula (I) are allosteric modulators of the A 1 adenosine receptor and, thus, may be employed for the treatment of conditions mediated by the A l adenosine receptor. Accordingly, the compounds of formula (I) may be employed for treatment of pain, in particular, chronic pain such as neuropathic pain; cardiac disease or disorder such as cardiac disarrhythmias, e.g., peroxysmal supraventricular tachycardia, angina, myocardial infarction and stroke; neurological disease or injury; sleep disorder; epilepsy; and depression.

  本发明提供了公式（I）的化合物，其中R1、R2、R3、R4和Q的含义如规范中所定义。公式（I）的化合物是A1腺苷受体的别构调节剂，因此可用于治疗由A1腺苷受体介导的疾病。因此，公式（I）的化合物可用于治疗疼痛，特别是神经病理性疼痛；心脏疾病或障碍，如心律失常，例如阵发性室上性心动过速，心绞痛，心肌梗死和中风；神经系统疾病或损伤；睡眠障碍；癫痫；和抑郁症。
• PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN
  申请人：King Pharmaceuticals Research and Development Inc.

  公开号：EP2150110A1

  公开（公告）日：2010-02-10
• US7855209B2
  申请人：——

  公开号：US7855209B2

  公开（公告）日：2010-12-21
• US7897596B2
  申请人：——

  公开号：US7897596B2

  公开（公告）日：2011-03-01