1-[3-[2-(三氟甲氧基)苯基]苯基]乙酮 | 675596-36-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-[3-[2-(三氟甲氧基)苯基]苯基]乙酮
• 英文名称: 1-(2'-trifluoromethoxy-1,1'-biphenyl-3-yl)ethanone
• 英文别名: 1-[2'-(Trifluoromethoxy)[1,1'-biphenyl]-3-yl]ethan-1-one；1-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
• CAS: 675596-36-8
• 化学式: C₁₅H₁₁F₃O₂
• 分子量: 280.246
• InChiKey: XEFAZSQLWXPYPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[3-[2-(三氟甲氧基)苯基]苯基]乙酮 在 氢溴酸 溴 作用下， 以 甲醇 、 水 为溶剂， 反应 20.0h， 以75%的产率得到2-bromo-1-[2'-trifluoromethoxy-1,1'-biphenyl-3-yl]ethanone
  参考文献：
  名称：

  [EN] BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS
  [FR] THIAZOLES, OXAZOLES ET IMIDAZOLES A SUBSTITUTION BIARYLE UTILISES COMME BLOQUEURS DU CANAL SODIQUE

  摘要：

  公开号：

  WO2004094395A3
• 作为产物：
  描述：

  邻溴三氟甲氧基苯 、 3-乙酰基苯硼酸 在 palladium diacetate sodium carbonate 、 三苯基膦 作用下， 以 丙醇 、 水 为溶剂， 反应 4.25h， 以79%的产率得到1-[3-[2-(三氟甲氧基)苯基]苯基]乙酮
  参考文献：
  名称：

  [EN] BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS
  [FR] THIAZOLES, OXAZOLES ET IMIDAZOLES A SUBSTITUTION BIARYLE UTILISES COMME BLOQUEURS DU CANAL SODIQUE

  摘要：

  公开号：

  WO2004094395A3

文献信息

• Substituted biaryl pyrazoles as sodium channel blockers
  作者：Sriram Tyagarajan、Prasun K. Chakravarty、Bishan Zhou、Brett Taylor、Michael H. Fisher、Mathew J. Wyvratt、Kathy Lyons、Tracy Klatt、Xiaohua Li、Sanjeev Kumar、Brande Williams、John Felix、Birgit T. Priest、Richard M. Brochu、Vivien Warren、McHardy Smith、Maria Garcia、Gregory J. Kaczorowski、William J. Martin、Catherine Abbadie、Erin McGowan、Nina Jochnowitz、William H. Parsons

  DOI：10.1016/j.bmcl.2010.07.080

  日期：2010.9

  Voltage-gated sodium channels have been shown to play a critical role in neuropathic pain. A series of low molecular weight biaryl substituted pyrazole carboxamides were identified with good in-vitro potency and in-vivo efficacy. Compound 26, a Nav1.7 blocker has excellent efficacy in the Chung model of neuropathic pain.

  电压门控钠通道已显示在神经性疼痛中起关键作用。鉴定出一系列具有良好的体外效能和体内功效的低分子量联芳基取代的吡唑甲酰胺。化合物26（Na v 1.7阻滞剂）在神经性疼痛的Chung模型中具有出色的疗效。
• Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers
  申请人：Ayer B. Michelle

  公开号：US20050165072A1

  公开（公告）日：2005-07-28

  Aryl-link-aryl thiazolidine-dione and aryl-link-aryl oxazolidine-dione compounds are sodium channel blockers; pharmaceutical compositions that include an effective amount of the aryl-link-aryl thiazolidine-dione and aryl-link-aryl oxazolidine-dione compounds and a pharmaceutically acceptable carrier, and a method of treatment of acute pain, chronic pain, visceral pain, inflammatory pain, or neuropathic pain, as well as initable bowel syndrome, Cnohns disease, epilepsy, partial and generalized tonic seizures, multiple sclerosis, bipolar depression, and tachy-arrhythmias by the administration of an effective amount of aryl-link-aryl thiazolidine-dione and aryl-link-aryl oxazolidine-dione compounds are described.

  Aryl-link-aryl噻唑烷二酮和aryl-link-aryl噁唑烷二酮化合物是钠通道阻滞剂；其中包括有效量的aryl-link-aryl噻唑烷二酮和aryl-link-aryl噁唑烷二酮化合物以及药学上可接受的载体的制药组合物，以及通过给予有效量的aryl-link-aryl噻唑烷二酮和aryl-link-aryl噁唑烷二酮化合物的方法治疗急性疼痛、慢性疼痛、内脏疼痛、炎症性疼痛或神经病性疼痛，以及易激性肠综合症、克罗恩病、癫痫、部分和全身强直性发作、多发性硬化、双相抑郁症和快速心律失常。
• Biaryl substituted pyrazoles as sodium channel blockers
  申请人：Chakravarty K Prasun

  公开号：US20060183785A1

  公开（公告）日：2006-08-17

  Biaryl substituted pyrazole compounds are sodium channel blockers useful for the treatment of pain and other conditions. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treatment of conditions, including acute pain, chronic pain, visceral pain, inflammatory pain, and neuropathic pain, comprise administering an effective amount of the present compounds, either alone, or in combination with one or more therapeutically active compounds.

  双芳基取代吡唑化合物是钠通道阻滞剂，可用于治疗疼痛和其他疾病。制药组合物包括有效量的本化合物，单独使用或与一个或多个治疗活性化合物结合，并且含有药用载体。治疗方法包括急性疼痛、慢性疼痛、内脏疼痛、炎症性疼痛和神经病理性疼痛，包括单独使用或与一个或多个治疗活性化合物结合的有效量的本化合物的给药。
• Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers
  申请人：Chakravarty K. Prasun

  公开号：US20070060584A1

  公开（公告）日：2007-03-15

  Biaryl substituted thiazole, oxazole and imidazole compounds are sodium channel blockers useful for the treatment of pain. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treatment or prevention of conditions, including acute pain, chronic pain, visceral pain, inflammatory pain, and neuropathic pain comprise administering an effective amount of the present compounds, either alone, or in combination with one or more therapeutically active compounds.

  双芳基取代噻唑、噁唑和咪唑化合物是钠通道阻滞剂，可用于治疗疼痛。制药组合物包括有效量的本化合物，单独或与一个或多个治疗活性化合物组合，并含有药用载体。治疗或预防急性疼痛、慢性疼痛、内脏疼痛、炎症性疼痛和神经病理性疼痛的方法包括单独或与一个或多个治疗活性化合物组合，给予本化合物的有效量。
• [EN] BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS<br/>[FR] THIAZOLES, OXAZOLES ET IMIDAZOLES A SUBSTITUTION BIARYLE UTILISES COMME BLOQUEURS DU CANAL SODIQUE
  申请人：MERCK & CO INC

  公开号：WO2004094395A3

  公开（公告）日：2005-02-24