Ethyl 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxylate | 1027079-21-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ethyl 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxylate
• CAS: 1027079-21-5
• 化学式: C₁₉H₁₄F₃NO₃S
• 分子量: 393.386
• InChiKey: KOPYLZLOBZZKRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  76.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Ethyl 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxylate 在 氨 作用下， 以 甲醇 为溶剂， 生成 2-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazole-4-carboxamide
  参考文献：
  名称：

  Substituted biaryl oxazoles, imidazoles, and thiazoles as sodium channel blockers

  摘要：

  Voltage-gated sodium channels have been shown to play a critical role in neuropathic pain. With a goal to develop potent peripherally active sodium channel blockers, a series of low molecular weight biaryl substituted imidazoles, oxazoles, and thiazole carboxamides were identified with good in vitro and in vivo potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.064
• 作为产物：
  描述：

  2-(3-溴苯基)-噻唑-4-羧酸乙酯 、 2-(三氟甲氧基)苯硼酸 在 palladium diacetate 、 sodium carbonate 、 三苯基膦 作用下， 以 丙醇 、 水 为溶剂， 生成 Ethyl 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxylate
  参考文献：
  名称：

  Substituted biaryl oxazoles, imidazoles, and thiazoles as sodium channel blockers

  摘要：

  Voltage-gated sodium channels have been shown to play a critical role in neuropathic pain. With a goal to develop potent peripherally active sodium channel blockers, a series of low molecular weight biaryl substituted imidazoles, oxazoles, and thiazole carboxamides were identified with good in vitro and in vivo potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.064

文献信息

• Substituted biaryl oxazoles, imidazoles, and thiazoles as sodium channel blockers
  作者：Sriram Tyagarajan、Prasun K. Chakravarty、Bishan Zhou、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.2010.07.064

  日期：2010.9

  Voltage-gated sodium channels have been shown to play a critical role in neuropathic pain. With a goal to develop potent peripherally active sodium channel blockers, a series of low molecular weight biaryl substituted imidazoles, oxazoles, and thiazole carboxamides were identified with good in vitro and in vivo potency. (C) 2010 Elsevier Ltd. All rights reserved.