(5-hydroxy-1H-indol-2-yl)-[4-(trifluoromethoxy)phenyl]methanone | 1282035-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (5-hydroxy-1H-indol-2-yl)-[4-(trifluoromethoxy)phenyl]methanone
• CAS: 1282035-28-2
• 化学式: C₁₆H₁₀F₃NO₃
• 分子量: 321.256
• InChiKey: HANQUBNTMFKSKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  62.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-(叔丁基二甲基硅氧基)-1H-吲哚 在 manganese(IV) oxide 、 正丁基锂 、 二氧化碳 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 4.0h， 生成 (5-hydroxy-1H-indol-2-yl)-[4-(trifluoromethoxy)phenyl]methanone
  参考文献：
  名称：

  Structure and activity relationship of 2-(substituted benzoyl)-hydroxyindoles as novel CaMKII inhibitors

  摘要：

  A series of novel 2-substituted-5-hydroxyindoles were synthesized and evaluated for their inhibitory activity against CaMKII. Structure and activity relationship results indicated that potent inhibitory activity could be achieved by modification at the para-position of the phenyl ring of the high throughput screening hit compound 2. Among the prepared compounds, we identified 14 as a novel CaMKII inhibitor with an activity stronger than that of KN-93, a known CaMKII inhibitor. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.012

文献信息

• Structure and activity relationship of 2-(substituted benzoyl)-hydroxyindoles as novel CaMKII inhibitors
  作者：Masafumi Komiya、Shigehiro Asano、Nobuyuki Koike、Erina Koga、Junetsu Igarashi、Shogo Nakatani、Yoshiaki Isobe

  DOI：10.1016/j.bmcl.2011.01.012

  日期：2011.3

  A series of novel 2-substituted-5-hydroxyindoles were synthesized and evaluated for their inhibitory activity against CaMKII. Structure and activity relationship results indicated that potent inhibitory activity could be achieved by modification at the para-position of the phenyl ring of the high throughput screening hit compound 2. Among the prepared compounds, we identified 14 as a novel CaMKII inhibitor with an activity stronger than that of KN-93, a known CaMKII inhibitor. (C) 2011 Elsevier Ltd. All rights reserved.