6-Morpholin-4-yl-2-propylisoquinolin-1-one | 1270921-58-8

• 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-Morpholin-4-yl-2-propylisoquinolin-1-one
• CAS: 1270921-58-8
• 化学式: C₁₆H₂₀N₂O₂
• 分子量: 272.347
• InChiKey: PAGOMYUQSNTMDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-溴-2H-异喹啉-1-酮 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 3.33h， 生成 6-Morpholin-4-yl-2-propylisoquinolin-1-one
  参考文献：
  名称：

  New positive allosteric modulators of the metabotropic glutamate receptor 2 (mGluR2): Identification and synthesis of N-propyl-8-chloro-6-substituted isoquinolones

  摘要：

  A series of N-propyl-8-chloro-6-substituted isoquinolones was identified as positive allosteric modulators of metabotropic glutamate receptor 2 (mGluR2 PAM) via high throughput screening (HTS). The subsequent synthesis and initial SAR exploration that led to the identification of compound 28 is described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.048

文献信息

• New positive allosteric modulators of the metabotropic glutamate receptor 2 (mGluR2): Identification and synthesis of N-propyl-8-chloro-6-substituted isoquinolones
  作者：Andrés A. Trabanco、Guillaume Duvey、José María Cid、Gregor J. Macdonald、Philippe Cluzeau、Vanthea Nhem、Rocco Furnari、Nadia Behaj、Géraldine Poulain、Terry Finn、Hilde Lavreysen、Sonia Poli、Alexandre Raux、Yves Thollon、Nicolas Poirier、David D’Addona、José Ignacio Andrés、Robert Lutjens、Emmanuel Le Poul、Hassan Imogai、Jean-Philippe Rocher

  DOI：10.1016/j.bmcl.2010.12.048

  日期：2011.2

  A series of N-propyl-8-chloro-6-substituted isoquinolones was identified as positive allosteric modulators of metabotropic glutamate receptor 2 (mGluR2 PAM) via high throughput screening (HTS). The subsequent synthesis and initial SAR exploration that led to the identification of compound 28 is described. (C) 2010 Elsevier Ltd. All rights reserved.