2-(1,8-萘啶-2-基)乙酸乙酯 | 339536-82-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 2-(1,8-萘啶-2-基)乙酸乙酯
• 英文名称: ethyl 2-(1,8-naphthyridin-2-yl)acetate
• 英文别名: [1,8]Naphthyridin-2-yl-acetic acid ethyl ester；Ethyl 2-(1,8-naphthyridin-2-yl)acetate
• CAS: 339536-82-2
• 化学式: C₁₂H₁₂N₂O₂
• 分子量: 216.239
• InChiKey: CIZLORHQAYCNTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-(1,8-萘啶-2-基)乙酸乙酯 在 palladium on activated charcoal lithium aluminium tetrahydride 、 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 7-(2-羟乙基)-1,2,3,4-四氢-1,8-萘啶
  参考文献：
  名称：

  Synthesis of pyrazoles and isoxazoles as potent αvβ3 receptor antagonists

  摘要：

  We describe a series of pyrazole and isoxazole analogs as antagonists of the 043 receptor. Compounds showed low to sub-nanomolar potency against alpha(v)beta(3), as well as good selectivity against alpha(IIb)beta(3). In HT29 cells, most analogs also demonstrated significant selectivity against alpha(v)beta(6). Several compounds showed good pharmacokinetic properties in rats, in addition to anti-angiogenic activity in a mouse corneal micropocket model. Compounds were synthesized in a straightforward manner from readily available glutarate precursors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.045
• 作为产物：
  描述：

  2-氨基-3-吡啶甲醛 在 L-脯氨酸 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 2-(1,8-萘啶-2-基)乙酸乙酯
  参考文献：
  名称：

  Synthesis of pyrazoles and isoxazoles as potent αvβ3 receptor antagonists

  摘要：

  We describe a series of pyrazole and isoxazole analogs as antagonists of the 043 receptor. Compounds showed low to sub-nanomolar potency against alpha(v)beta(3), as well as good selectivity against alpha(IIb)beta(3). In HT29 cells, most analogs also demonstrated significant selectivity against alpha(v)beta(6). Several compounds showed good pharmacokinetic properties in rats, in addition to anti-angiogenic activity in a mouse corneal micropocket model. Compounds were synthesized in a straightforward manner from readily available glutarate precursors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.045

文献信息

• Synthesis of pyrazoles and isoxazoles as potent αvβ3 receptor antagonists
  作者：Thomas D. Penning、Albert Khilevich、Barbara B. Chen、Mark A. Russell、Mark L. Boys、Yaping Wang、Tiffany Duffin、V. Wayne Engleman、Mary Beth Finn、Sandra K. Freeman、Melanie L. Hanneke、Jeffery L. Keene、Jon A. Klover、G. Allen Nickols、Maureen A. Nickols、Randall K. Rader、Steven L. Settle、Kristen E. Shannon、Christina N. Steininger、Marisa M. Westlin、William F. Westlin

  DOI：10.1016/j.bmcl.2006.03.045

  日期：2006.6

  We describe a series of pyrazole and isoxazole analogs as antagonists of the 043 receptor. Compounds showed low to sub-nanomolar potency against alpha(v)beta(3), as well as good selectivity against alpha(IIb)beta(3). In HT29 cells, most analogs also demonstrated significant selectivity against alpha(v)beta(6). Several compounds showed good pharmacokinetic properties in rats, in addition to anti-angiogenic activity in a mouse corneal micropocket model. Compounds were synthesized in a straightforward manner from readily available glutarate precursors. (c) 2006 Elsevier Ltd. All rights reserved.