2-(3-(phenylethynyl)phenoxy)acetic acid | 1082058-83-0

• 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-(phenylethynyl)phenoxy)acetic acid
• 英文别名: 2-[3-(2-Phenylethynyl)phenoxy]acetic acid
• CAS: 1082058-83-0
• 化学式: C₁₆H₁₂O₃
• 分子量: 252.269
• InChiKey: VMFFRPFLQXABSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  ethyl 2-(3-(phenylethynyl)phenoxy)acetate 在 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以98%的产率得到2-(3-(phenylethynyl)phenoxy)acetic acid
  参考文献：
  名称：

  Discovery of Potent and Selective Agonists for the Free Fatty Acid Receptor 1 (FFA₁/GPR40), a Potential Target for the Treatment of Type II Diabetes

  摘要：

  A series of 4-phenethynyldihydrocinnamic acid agonists of the free fatty acid receptor 1 (FFA(1)) has been discovered and explored. The preferred compound 20 (TUG-424, EC50 = 32 nM) significantly increased glucose-stimulated insulin secretion at 100 nM and may serve to explore the role of FFA(1) in metabolic diseases such as diabetes or obesity.

  DOI：

  10.1021/jm8010178

文献信息

• Discovery of Potent and Selective Agonists for the Free Fatty Acid Receptor 1 (FFA₁/GPR40), a Potential Target for the Treatment of Type II Diabetes
  作者：Elisabeth Christiansen、Christian Urban、Nicole Merten、Kathrin Liebscher、Kasper K. Karlsen、Alexandra Hamacher、Andreas Spinrath、Andrew D. Bond、Christel Drewke、Susanne Ullrich、Matthias U. Kassack、Evi Kostenis、Trond Ulven

  DOI：10.1021/jm8010178

  日期：2008.11.27

  A series of 4-phenethynyldihydrocinnamic acid agonists of the free fatty acid receptor 1 (FFA(1)) has been discovered and explored. The preferred compound 20 (TUG-424, EC50 = 32 nM) significantly increased glucose-stimulated insulin secretion at 100 nM and may serve to explore the role of FFA(1) in metabolic diseases such as diabetes or obesity.