2-(3,5-dibromo-4-((3,5-difluorobenzyl)(4-(2-(trifluoromethyl)phenoxy)benzyl)amino)phenyl)acetic acid | 1398089-80-9

• 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: 2-(3,5-dibromo-4-((3,5-difluorobenzyl)(4-(2-(trifluoromethyl)phenoxy)benzyl)amino)phenyl)acetic acid
• 英文别名: 2-[3,5-Dibromo-4-[(3,5-difluorophenyl)methyl-[[4-[2-(trifluoromethyl)phenoxy]phenyl]methyl]amino]phenyl]acetic acid
• CAS: 1398089-80-9
• 化学式: C₂₉H₂₀Br₂F₅NO₃
• 分子量: 685.283
• InChiKey: INBJWXVAOUPPNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-(2-trifluoromethylphenoxy)benzaldehyde 在 水 、 三乙酰氧基硼氢化钠 、 溶剂黄146 、 二异丙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 60.0h， 生成 2-(3,5-dibromo-4-((3,5-difluorobenzyl)(4-(2-(trifluoromethyl)phenoxy)benzyl)amino)phenyl)acetic acid
  参考文献：
  名称：

  Discovery of liver selective non-steroidal glucocorticoid receptor antagonist as novel antidiabetic agents

  摘要：

  Series of benzyl-phenoxybenzyl amino-phenyl acid derivatives (8a-q) are reported as non-steroidal GR antagonist. Compound 8g showed excellent h-GR binding and potent antagonistic activity (in vitro). The lead compound 8g exhibited significant oral antidiabetic and antihyperlipidemic effects (in vivo), along with liver selectivity. These preliminary results confirm discovery of potent and liver selective passive GR antagonist for the treatment of T2DM. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.078

文献信息

• Discovery of liver selective non-steroidal glucocorticoid receptor antagonist as novel antidiabetic agents
  作者：Kiran Shah、Dipam Patel、Pradip Jadav、Mubeen Sheikh、Kalapatapu V.V.M. Sairam、Amit Joharapurkar、Mukul R. Jain、Rajesh Bahekar

  DOI：10.1016/j.bmcl.2012.07.078

  日期：2012.9

  Series of benzyl-phenoxybenzyl amino-phenyl acid derivatives (8a-q) are reported as non-steroidal GR antagonist. Compound 8g showed excellent h-GR binding and potent antagonistic activity (in vitro). The lead compound 8g exhibited significant oral antidiabetic and antihyperlipidemic effects (in vivo), along with liver selectivity. These preliminary results confirm discovery of potent and liver selective passive GR antagonist for the treatment of T2DM. (C) 2012 Elsevier Ltd. All rights reserved.