1-(4-Hexoxyphenyl)piperazine | 753433-10-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(4-Hexoxyphenyl)piperazine
• CAS: 753433-10-2
• 化学式: C₁₆H₂₆N₂O
• 分子量: 262.395
• InChiKey: IBZZJRCMJRSSNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  24.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-Hexoxyphenyl)piperazine 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 75.0h， 生成 1-(4,5-Bis-hydroxymethyl-2-methyl-pyridin-3-yloxy)-3-[4-(4-hexyloxy-phenyl)-piperazin-1-yl]-propan-2-ol
  参考文献：
  名称：

  Urbain; Schumer; Gubin, European Journal of Medicinal Chemistry, 1982, vol. 17, # 4, p. 359 - 364

  摘要：

  DOI：
• 作为产物：
  描述：

  1-Acetyl-4-(4-hexyloxyphenyl)piperazine 在 盐酸 作用下， 以85%的产率得到1-(4-Hexoxyphenyl)piperazine
  参考文献：
  名称：

  Novel echinocandin antifungals. Part 2: Optimization of the side chain of the natural product FR901379. Discovery of micafungin

  摘要：

  Further optimization of the potent antifungal activity of side chain analogs of the natural product FR901379 led to the discovery of compound 8 with an excellent, well-balanced pro. le. Potent compounds with reduced hemolytic potential were designed based upon a disruption of the linearity of the terphenyl lipophilic side chain. The optimized compound (8, FK463, micafungin) displayed the best balance and was selected as the clinical candidate. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.093

文献信息

• Urbain; Schumer; Gubin, European Journal of Medicinal Chemistry, 1982, vol. 17, # 4, p. 359 - 364
  作者：Urbain、Schumer、Gubin、Descamps

  DOI：——

  日期：——
• Novel echinocandin antifungals. Part 2: Optimization of the side chain of the natural product FR901379. Discovery of micafungin
  作者：Masaki Tomishima、Hidenori Ohki、Akira Yamada、Katsuyuki Maki、Fumiaki Ikeda

  DOI：10.1016/j.bmcl.2008.03.093

  日期：2008.5

  Further optimization of the potent antifungal activity of side chain analogs of the natural product FR901379 led to the discovery of compound 8 with an excellent, well-balanced pro. le. Potent compounds with reduced hemolytic potential were designed based upon a disruption of the linearity of the terphenyl lipophilic side chain. The optimized compound (8, FK463, micafungin) displayed the best balance and was selected as the clinical candidate. (c) 2008 Elsevier Ltd. All rights reserved.