isopropyl (2R,3S)-3-acetylamino-2-hydroxy-3-(4-fluorophenyl)propionate | 1300036-09-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: isopropyl (2R,3S)-3-acetylamino-2-hydroxy-3-(4-fluorophenyl)propionate
• 英文别名: propan-2-yl (2R,3S)-3-acetamido-3-(4-fluorophenyl)-2-hydroxypropanoate
• CAS: 1300036-09-2
• 化学式: C₁₄H₁₈FNO₄
• 分子量: 283.3
• InChiKey: UDIQVXTYEOOMIF-QWHCGFSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  isopropyl (2R,3S)-3-acetylamino-2-hydroxy-3-(4-fluorophenyl)propionate 在 盐酸 、 氯化亚砜 、 水 作用下， 反应 4.0h， 生成 methyl (2R,3S)-3-amino-2-hydroxy-3-(4-fluoro-phenyl)propionate
  参考文献：
  名称：

  Synthesis, cytotoxicity, metabolic stability and pharmacokinetic evaluation of fluorinated docetaxel analogs

  摘要：

  Three novel fluorinated docetaxel analogs, along with six previous reported, were evaluated for their cytotoxicity against five tumor cell lines. The results indicated that these analogs maintained similar/ more potent activity than docetaxel against these tumor cell lines. They were also evaluated for their metabolic stability and pharmacokinetics, which demonstrated that these analogs showed better profiles of metabolic stability and pharmacokinetics than that of docetaxel. Crown Copyright (C) 2011 Published by Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.02.027
• 作为产物：
  描述：

  氟肉桂酸 在 potassium osmate(VI) dihydrate 、 氯化亚砜 、 lithium hydroxide monohydrate 、 氢化奎宁 1,4-(2,3-二氮杂萘)二醚 作用下， 以 水 、 叔丁醇 为溶剂， 反应 14.0h， 生成 isopropyl (2R,3S)-3-acetylamino-2-hydroxy-3-(4-fluorophenyl)propionate
  参考文献：
  名称：

  Synthesis, cytotoxicity, metabolic stability and pharmacokinetic evaluation of fluorinated docetaxel analogs

  摘要：

  Three novel fluorinated docetaxel analogs, along with six previous reported, were evaluated for their cytotoxicity against five tumor cell lines. The results indicated that these analogs maintained similar/ more potent activity than docetaxel against these tumor cell lines. They were also evaluated for their metabolic stability and pharmacokinetics, which demonstrated that these analogs showed better profiles of metabolic stability and pharmacokinetics than that of docetaxel. Crown Copyright (C) 2011 Published by Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.02.027

文献信息

• Synthesis, cytotoxicity, metabolic stability and pharmacokinetic evaluation of fluorinated docetaxel analogs
  作者：Hong-Fu Lu、Cheng Xie、Jun Chang、Guo-Qiang Lin、Xun Sun

  DOI：10.1016/j.ejmech.2011.02.027

  日期：2011.5

  Three novel fluorinated docetaxel analogs, along with six previous reported, were evaluated for their cytotoxicity against five tumor cell lines. The results indicated that these analogs maintained similar/ more potent activity than docetaxel against these tumor cell lines. They were also evaluated for their metabolic stability and pharmacokinetics, which demonstrated that these analogs showed better profiles of metabolic stability and pharmacokinetics than that of docetaxel. Crown Copyright (C) 2011 Published by Elsevier Masson SAS. All rights reserved.