4-fluoro-2-(prop-2-enylamino)benzonitrile | 1379268-99-1

• 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: 4-fluoro-2-(prop-2-enylamino)benzonitrile
• CAS: 1379268-99-1
• 化学式: C₁₀H₉FN₂
• 分子量: 176.193
• InChiKey: PFTDRLJDFZHDMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  35.82
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  四氢咔唑酮 、 4-fluoro-2-(prop-2-enylamino)benzonitrile 在 sodium hydride 作用下， 反应 0.08h， 生成
  参考文献：
  名称：

  Novel carbazole and acyl-indole antimitotics

  摘要：

  In the course of our Heat Shock 90 program, certain carbazole compounds were identified which had an off-target antiproliferative activity. To understand the off-target activity, we studied one analog with strong activity. We discovered that it had an effect on tubulin polymerization kinetics and was competitive with colchicine. Additional analogs were made, and a number of potent compounds were identified. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.010