(S)-2-{5-[(4-Adamantan-1-yl-2-fluoro-benzoylamino)-methyl]-2-fluoro-4-propoxy-benzyl}-butyric acid | 1063635-61-9

• 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: (S)-2-{5-[(4-Adamantan-1-yl-2-fluoro-benzoylamino)-methyl]-2-fluoro-4-propoxy-benzyl}-butyric acid
• 英文别名: (2S)-2-[[5-[[[4-(1-adamantyl)-2-fluorobenzoyl]amino]methyl]-2-fluoro-4-propoxyphenyl]methyl]butanoic acid
• CAS: 1063635-61-9
• 化学式: C₃₂H₃₉F₂NO₄
• 分子量: 539.663
• InChiKey: XWDWDQGJOOSFCU-CFVCEQMKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以68%的产率得到(S)-2-{5-[(4-Adamantan-1-yl-2-fluoro-benzoylamino)-methyl]-2-fluoro-4-propoxy-benzyl}-butyric acid
  参考文献：
  名称：

  Improvement of the transactivation activity of phenylpropanoic acid-type peroxisome proliferator-activated receptor pan agonists: Effect of introduction of fluorine at the linker part

  摘要：

  We developed a potent peroxisome proliferator-activated receptor pan agonist (a candidate drug for treatment of altered metabolic homeostasis) by introducing fluorine atoms at appropriate position(s) of the known phenylpropionic acid-type pan agonist TIPP-703. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.046

文献信息

• Improvement of the transactivation activity of phenylpropanoic acid-type peroxisome proliferator-activated receptor pan agonists: Effect of introduction of fluorine at the linker part
  作者：Jun-ichi Kasuga、Takuji Oyama、Yuko Hirakawa、Makoto Makishima、Kosuke Morikawa、Yuichi Hashimoto、Hiroyuki Miyachi

  DOI：10.1016/j.bmcl.2008.07.046

  日期：2008.8

  We developed a potent peroxisome proliferator-activated receptor pan agonist (a candidate drug for treatment of altered metabolic homeostasis) by introducing fluorine atoms at appropriate position(s) of the known phenylpropionic acid-type pan agonist TIPP-703. (c) 2008 Elsevier Ltd. All rights reserved.