(2-氨基-5-三氟甲基-苯基)-(5-氯-2-甲氧基-苯基)-甲酮 | 221113-32-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (2-氨基-5-三氟甲基-苯基)-(5-氯-2-甲氧基-苯基)-甲酮
• 英文名称: (2-amino-5-trifluoromethyl-phenyl)-(5-chloro-2-methoxy-phenyl)-methanone
• 英文别名: 2-Amino-2'-methoxy-5-(trifluoromethyl)-5'-chlorobenzophenone；[2-amino-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone
• CAS: 221113-32-2
• 化学式: C₁₅H₁₁ClF₃NO₂
• 分子量: 329.706
• InChiKey: DUNKPGHPKLHUJD-UHFFFAOYSA-N

物化性质

• 沸点：
  499.3±45.0 °C(Predicted)
• 密度：
  1.377±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2-氨基-5-三氟甲基-苯基)-(5-氯-2-甲氧基-苯基)-甲酮 在 吡啶 、 三溴化硼 、 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 4-(5-chloro-2-hydroxy-phenyl)-3-mercapto-6-trifluoromethyl-1H-quinolin-2-one
  参考文献：
  名称：

  4-Aryl-3-(mercapto)quinolin-2-ones: novel maxi-K channel opening relaxants of corporal smooth muscle

  摘要：

  A novel series of 4-aryl-3-(mercapto)quinolin-2-one derivatives was prepared and evaluated as openers of the cloned maxi-K channel hSlo expressed in Xenopus laevis oocytes by utilizing electrophysiological methods. The effect of these maxi-K openers on corporal smooth muscle was studied in vitro using isolated rabbit corpus cavernosum. In vivo efficacy has been demonstrated with a selective maxi-K opening relaxant in a rat model of erectile function. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.051
• 作为产物：
  描述：

  N-[2-[(5-氯-2-甲氧基苯基)羰基]-4-(三氟甲基)苯基]氨基羧酸,1,1-二甲基乙基酯 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 (2-氨基-5-三氟甲基-苯基)-(5-氯-2-甲氧基-苯基)-甲酮
  参考文献：
  名称：

  The synthesis and structure–activity relationships of 4-aryl-3-aminoquinolin-2-ones: a new class of calcium-Dependent, large conductance, potassium (maxi-K) channel openers targeted for post-stroke neuroprotection

  摘要：

  A series of 4-aryl-3-aminoquinoline-2-one derivatives was synthesized and evaluated as activators of the cloned maxi-K channel mSlo (hSlo) expressed in Xenopus laevis oocytes using electrophysiological methods. A brain penetrable activator of maxi-K channels was identified and shown to be significantly active in the MCAO model of stroke. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00240-8

文献信息

• 3-thia-4-arylquinolin-2-one derivatives
  申请人：Boy M. Kenneth

  公开号：US20050080105A1

  公开（公告）日：2005-04-14

  This invention describes compounds of Formula (I) which are modulators of potassium channels and are useful for treating conditions affected by abnormal potassium channel activity including erectile dysfunction and irritable bowel syndrome.

  这项发明描述了Formula (I)的化合物，这些化合物是钾通道的调节剂，可用于治疗受异常钾通道活性影响的疾病，包括勃起功能障碍和肠易激综合征。
• 3-Thia-4-arylquinolin-2-one potassium channel modulators
  申请人：Boy M. Kenneth

  公开号：US20050176763A1

  公开（公告）日：2005-08-11

  This invention describes compounds of Formula (I) which are modulators of potassium channels and are useful for treating conditions affected by abnormal potassium channel activity including erectile dysfunction and irritable bowel syndrome.

  这项发明描述了Formula (I)的化合物，这些化合物是钾通道的调节剂，可用于治疗受异常钾通道活性影响的疾病，包括勃起功能障碍和肠易激综合征。
• 3-Thia-4-arylquinolin-2-one derivatives as smooth muscle relaxants
  申请人：Boy M. Kenneth

  公开号：US20050096329A1

  公开（公告）日：2005-05-05

  This invention describes compounds of Formula (I) which are modulators of potassium channels and are useful for treating conditions affected by abnormal potassium channel activity including erectile dysfunction and irritable bowel syndrome.

  这项发明描述了一种化合物，其化学式为（I），可以调节钾通道，并且适用于治疗受异常钾通道活性影响的疾病，包括勃起功能障碍和肠易激综合征。
• 3-Thia-4-arylquinolin-2-one derivatives
  申请人：Boy M. Kenneth

  公开号：US20050080079A1

  公开（公告）日：2005-04-14

  This invention describes compounds of Formula (I) which are modulators of potassium channels and are useful for treating conditions affected by abnormal potassium channel activity including erectile dysfunction and irritable bowel syndrome.

  这项发明描述了式（I）化合物，它们是钾通道调节剂，可用于治疗受异常钾通道活性影响的疾病，包括勃起功能障碍和肠易激综合征。
• Potassium channel modulators
  申请人：Hewawasam Piyasena

  公开号：US20050080082A1

  公开（公告）日：2005-04-14

  This invention describes compounds of Formula (I) which are modulators of potassium channels and are useful for treating conditions affected by abnormal potassium channel activity including erectile dysfunction and irritable bowel syndrome.

  这项发明描述了Formula (I)的化合物，这些化合物是钾通道的调节剂，可用于治疗受异常钾通道活性影响的疾病，包括勃起功能障碍和肠易激综合征。