2-[(5-chloro-2-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-1H-imidazole | 444348-62-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[(5-chloro-2-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-1H-imidazole
• 英文别名: 2-[(5-Chloro-2-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]imidazole
• CAS: 444348-62-3
• 化学式: C₁₈H₁₄ClF₃N₂O
• 分子量: 366.77
• InChiKey: FCRNAKWHMQLZDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[(5-chloro-2-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-1H-imidazole 在 吡啶盐酸盐 作用下， 反应 1.0h， 生成 4-Chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol
  参考文献：
  名称：

  4,5-Diphenyltriazol-3-ones:  Openers of Large-Conductance Ca²⁺-Activated Potassium (Maxi-K) Channels

  摘要：

  A series of diphenyl-substituted heterocycles were synthesized and evaluated by electrophysiological techniques as openers of the cloned mammalian large-conductance, Call-activated potassium (maxi-K) channel. The series was designed from deannulation of known benzimidazolone maxi-K opener NS-004 (2) thereby providing an effective template for obtaining structure-activity-related information. The triazolone ring system was the most studied wherein 4,5-diphenyltriazol-3-one 6d (maxi-K = 158%) was identified as the optimal maxi-K channel opener.

  DOI：

  10.1021/jm010569q
• 作为产物：
  描述：

  5-氯-2-甲氧基苯甲醛 在 三乙基硅烷 、 正丁基锂 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 生成 2-[(5-chloro-2-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-1H-imidazole
  参考文献：
  名称：

  4,5-Diphenyltriazol-3-ones:  Openers of Large-Conductance Ca²⁺-Activated Potassium (Maxi-K) Channels

  摘要：

  A series of diphenyl-substituted heterocycles were synthesized and evaluated by electrophysiological techniques as openers of the cloned mammalian large-conductance, Call-activated potassium (maxi-K) channel. The series was designed from deannulation of known benzimidazolone maxi-K opener NS-004 (2) thereby providing an effective template for obtaining structure-activity-related information. The triazolone ring system was the most studied wherein 4,5-diphenyltriazol-3-one 6d (maxi-K = 158%) was identified as the optimal maxi-K channel opener.

  DOI：

  10.1021/jm010569q

文献信息

• 4,5-Diphenyltriazol-3-ones:  Openers of Large-Conductance Ca²⁺-Activated Potassium (Maxi-K) Channels
  作者：Jeffrey L. Romine、Scott W. Martin、Valentin K. Gribkoff、Christopher G. Boissard、Steven I. Dworetzky、Joanne Natale、Yi Li、Qi Gao、Nicholas A. Meanwell、John E. Starrett

  DOI：10.1021/jm010569q

  日期：2002.7.1

  A series of diphenyl-substituted heterocycles were synthesized and evaluated by electrophysiological techniques as openers of the cloned mammalian large-conductance, Call-activated potassium (maxi-K) channel. The series was designed from deannulation of known benzimidazolone maxi-K opener NS-004 (2) thereby providing an effective template for obtaining structure-activity-related information. The triazolone ring system was the most studied wherein 4,5-diphenyltriazol-3-one 6d (maxi-K = 158%) was identified as the optimal maxi-K channel opener.