{2-amino-4-[(dicyclohexylamino)methyl]-5-(3,5-difluorophenyl)thiophen-3-yl}(4-chlorophenyl)methanone | 1194285-30-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: {2-amino-4-[(dicyclohexylamino)methyl]-5-(3,5-difluorophenyl)thiophen-3-yl}(4-chlorophenyl)methanone
• 英文别名: [2-Amino-4-[(dicyclohexylamino)methyl]-5-(3,5-difluorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
• CAS: 1194285-30-7
• 化学式: C₃₀H₃₃ClF₂N₂OS
• 分子量: 543.121
• InChiKey: LSZICGIGZFHACJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  74.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-{5-bromo-3-(4chlorobenzoyl)-4-[(dicyclohexylamino)methyl]thiophen-2-yl}isoindole-1,3-dione 、 3,5-二氟苯硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride cesium fluoride 、 一水合肼 作用下， 以 甲苯 、 乙醇 为溶剂， 反应 26.75h， 生成 {2-amino-4-[(dicyclohexylamino)methyl]-5-(3,5-difluorophenyl)thiophen-3-yl}(4-chlorophenyl)methanone
  参考文献：
  名称：

  ALLOSTERIC ENHANCERS OF THE A1 ADENOSINE RECEPTOR

  摘要：

  本发明提供了式(I)的化合物 其中W，R1，R5和R6在本说明书中定义的含义。式(I)的化合物是A1腺苷受体的变构增强剂，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，特别是神经病性疼痛、炎症性疼痛、心脏疾病或紊乱，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，神经疾病或损伤，睡眠障碍，癫痫和抑郁症的治疗。

  公开号：

  US20090281145A1

文献信息

• Allosteric Enhancers of th A1 Adenosine Receptor
  申请人：Baraldi Pier Giovanni

  公开号：US20120108636A1

  公开（公告）日：2012-05-03

  The present invention provides compounds of formula (I) wherein W, R 1 , R 5 and R 6 have a meaning as defined herein in the specification. The compounds of formula (I) are allosteric enhancers 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, and inflammatory pain, cardiac disease or disorder such as cardiac disarrhythmias, e.g., peroxysmal supraventricular tachycardia, angina, myocardial infarction and stroke, neurological disease or injury, sleep disorders, epilepsy and depression.

  本发明提供了式（I）化合物，其中W、R1、R5和R6的含义如本规范中所定义。式（I）化合物是A1腺苷受体的别构增强剂，因此可以用于治疗由A1腺苷受体介导的疾病。因此，式（I）化合物可以用于治疗疼痛，特别是神经病理性疼痛和炎症性疼痛，心脏疾病或疾病，如心脏心律失常，例如阵发性室上性心动过速，心绞痛，心肌梗塞和中风，神经系统疾病或损伤，睡眠障碍，癫痫和抑郁症。
• [EN] ALLOSTERIC ENHANCERS OF THE A1 ADENOSINE RECEPTOR<br/>[FR] STIMULATEURS ALLOSTÉRIQUES DU RÉCEPTEUR A1 À L'ADÉNOSINE
  申请人：KING PHARMACEUTICALS RES & DEV

  公开号：WO2009137782A2

  公开（公告）日：2009-11-12

  The present invention provides compounds of formula (I) wherein W, R1, R5 and R6 have a meaning as defined herein in the specification. The compounds of formula (I) are allosteric enhancers of the A1 adenosine receptor and, thus, may be employed for the treatment of conditions mediated by the A1 adenosine receptor. Accordingly, the compounds of formula (I) may be employed for treatment of pain, in particular, chronic pain such as neuropathic pain, and inflammatory pain, cardiac disease or disorder such as cardiac disarrhythmias, e.g., peroxysmal supraventricular tachycardia, angina, myocardial infarction and stroke, neurological disease or injury, sleep disorders, epilepsy and depression.
• ALLOSTERIC ENHANCERS OF THE A1 ADENOSINE RECEPTOR
  申请人：Baraldi Pier Giovanni

  公开号：US20090281145A1

  公开（公告）日：2009-11-12

  The present invention provides compounds of formula (I) wherein W, R 1 , R 5 and R 6 have a meaning as defined herein in the specification. The compounds of formula (I) are allosteric enhancers 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, and inflammatory pain, cardiac disease or disorder such as cardiac disarrhythmias, e.g., peroxysmal supraventricular tachycardia, angina, myocardial infarction and stroke, neurological disease or injury, sleep disorders, epilepsy and depression.

  本发明提供了式(I)的化合物 其中W，R1，R5和R6在本说明书中定义的含义。式(I)的化合物是A1腺苷受体的变构增强剂，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，特别是神经病性疼痛、炎症性疼痛、心脏疾病或紊乱，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，神经疾病或损伤，睡眠障碍，癫痫和抑郁症的治疗。