ATG-13

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: ATG-13
• 英文别名: 3-[3-[2-[Pyridin-2-yl(undecyl)amino]ethoxy]phenyl]propanoic acid
• 化学式: C₂₇H₄₀N₂O₃
• 分子量: 440.626
• InChiKey: KYVBDSJMFGVQOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  32
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  62.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  正十一胺 在 sodium hydroxide 、 tris(dibenzylideneacetone)dipalladium (0) 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 三乙胺 、 potassium iodide 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 、 叔丁醇 为溶剂， 生成 ATG-13
  参考文献：
  名称：

  Identification of novel PPARα ligands by the structural modification of a PPARγ ligand

  摘要：

  To develop novel PPAR alpha ligands, we designed and synthesized several 3-{3-[2-(nonylpyridin-2-ylamino)ethoxy]phenyl}-propanoic acid derivatives. Compound 10, the meta isomer of a PPAR gamma agonist 1, has been identified as a PPAR alpha ligand. The introduction of methyl and ethyl groups at the C-2 position of the propanoic acid of 10 further improved the PPAR alpha-binding potency. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.031

文献信息

• Identification of novel PPARα ligands by the structural modification of a PPARγ ligand
  作者：Shinya Usui、Hiroki Fujieda、Takayoshi Suzuki、Naoaki Yoshida、Hidehiko Nakagawa、Naoki Miyata

  DOI：10.1016/j.bmcl.2006.03.031

  日期：2006.6

  To develop novel PPAR alpha ligands, we designed and synthesized several 3-3-[2-(nonylpyridin-2-ylamino)ethoxy]phenyl}-propanoic acid derivatives. Compound 10, the meta isomer of a PPAR gamma agonist 1, has been identified as a PPAR alpha ligand. The introduction of methyl and ethyl groups at the C-2 position of the propanoic acid of 10 further improved the PPAR alpha-binding potency. (c) 2006 Elsevier Ltd. All rights reserved.