[5-氟-2-(甲基氨基)苯基]甲醇 | 504433-57-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [5-氟-2-(甲基氨基)苯基]甲醇
• 英文名称: (5-fluoro-2-methylaminophenyl)methanol
• 英文别名: [5-Fluoro-2-(methylamino)phenyl]methanol
• CAS: 504433-57-2
• 化学式: C₈H₁₀FNO
• 分子量: 155.172
• InChiKey: QQYMRLCTMQTFOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [5-氟-2-(甲基氨基)苯基]甲醇 在 4-二甲氨基吡啶 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 二异丙胺 作用下， 以 二氯甲烷 为溶剂， 生成 [N-methyl-N-2-[(tert-butoxycarbonylmethylamino)acetoxymethyl]-4-fluoro-phenyl]carbamic acid 1-chloroethyl ester
  参考文献：
  名称：

  Design, synthesis and antifungal activity of a novel water soluble prodrug of antifungal triazole

  摘要：

  A highly potent water soluble triazole antifungal prodrug, RO0098557 (1), has been identified from its parent, the novel antifungal agent RO0094815 (2). The prodrug includes a triazolium salt linked to an aminocarboxyl moiety, which undergoes enzymatic activation followed by spontaneous chemical degradation to release 2. Prodrug 1 showed high chemical stability and water solubility and exhibited strong antifungal activity against systemic candidiasis and aspergillosis as well as pulmonary aspergillosis in rats. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00892-2

文献信息

• Design, synthesis and antifungal activity of a novel water soluble prodrug of antifungal triazole
  作者：Jun Ohwada、Masao Tsukazaki、Tadakatsu Hayase、Nobuhiro Oikawa、Yoshiaki Isshiki、Hiroshi Fukuda、Eisaku Mizuguchi、Masahiro Sakaitani、Yasuhiko Shiratori、Toshikazu Yamazaki、Shigeyasu Ichihara、Isao Umeda、Nobuo Shimma

  DOI：10.1016/s0960-894x(02)00892-2

  日期：2003.1

  A highly potent water soluble triazole antifungal prodrug, RO0098557 (1), has been identified from its parent, the novel antifungal agent RO0094815 (2). The prodrug includes a triazolium salt linked to an aminocarboxyl moiety, which undergoes enzymatic activation followed by spontaneous chemical degradation to release 2. Prodrug 1 showed high chemical stability and water solubility and exhibited strong antifungal activity against systemic candidiasis and aspergillosis as well as pulmonary aspergillosis in rats. (C) 2002 Elsevier Science Ltd. All rights reserved.