6-butoxy-3,4-dihydro-2H-isoquinolin-1-one | 1370698-69-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 6-butoxy-3,4-dihydro-2H-isoquinolin-1-one
• CAS: 1370698-69-3
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: LQAVFAGXSPKJGF-UHFFFAOYSA-N

物化性质

• 沸点：
  450.7±45.0 °C(predicted)
• 密度：
  1.083±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-butoxy-3,4-dihydro-2H-isoquinolin-1-one 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  An example of designed multiple ligands spanning protein classes: Dual MCH-1R antagonists/DPPIV inhibitors

  摘要：

  A ligand-based approach to identify potential starting points for a dual MCH-1R antagonist/DPPIV inhibitor medicinal chemistry program was undertaken. Potential ligand pairs were identified by analysis of MCH-1R and DPPIV in vitro data. A highly targeted synthetic effort lead to the discovery of pyridone 11, a dual MCH-1R antagonist/DPPIV inhibitor with selectivity over DPP8 and DPP9. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.02.010
• 作为产物：
  描述：

  5-羟基-1-茚酮 在 sodium azide 、 potassium carbonate 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 6-butoxy-3,4-dihydro-2H-isoquinolin-1-one
  参考文献：
  名称：

  An example of designed multiple ligands spanning protein classes: Dual MCH-1R antagonists/DPPIV inhibitors

  摘要：

  A ligand-based approach to identify potential starting points for a dual MCH-1R antagonist/DPPIV inhibitor medicinal chemistry program was undertaken. Potential ligand pairs were identified by analysis of MCH-1R and DPPIV in vitro data. A highly targeted synthetic effort lead to the discovery of pyridone 11, a dual MCH-1R antagonist/DPPIV inhibitor with selectivity over DPP8 and DPP9. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.02.010

文献信息

• TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF
  申请人：Genentech, Inc.

  公开号：US20170320871A1

  公开（公告）日：2017-11-09

  Described herein are tetrahydroisoquinoline compounds with estrogen receptor modulation activity or function having the Formula I structure: and stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, and with the substituent and structural features described herein. Also described are pharmaceutical compositions and medicaments that include the Formula I compounds, as well as methods of using such estrogen receptor modulators, alone and in combination with other therapeutic agents, for treating diseases or conditions that are mediated or dependent upon estrogen receptors.