4,11-Dioxa-16-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8-trien-17-one | 1315316-71-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 4,11-Dioxa-16-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8-trien-17-one
• CAS: 1315316-71-2
• 化学式: C₁₄H₁₅NO₃
• 分子量: 245.278
• InChiKey: GGVMGWWCUXIJKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,5-二羟基对苯二甲酸乙酯 在 盐酸 、 锂硼氢 、 10% palladium on activated charcoal 、 氢气 、 sodium hydride 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 7.62h， 生成 4,11-Dioxa-16-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8-trien-17-one
  参考文献：
  名称：

  Benzoxazinones as potent positive allosteric AMPA receptor modulators: Part I

  摘要：

  AMPA receptors (AMPARs) are an increasingly important therapeutic target in the CNS. Aniracetam, the first identified potentiator of AMPARs, led to the rigid and more potent CX614. This lead molecule was optimized in order to increase affinity towards the AMPA receptor. The substitution of the dioxine with a benzoxazinone ring system increased the activity and allowed further investigation of the sidechain SAR. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.026

文献信息

• Benzoxazinones as potent positive allosteric AMPA receptor modulators: Part I
  作者：Rudolf Mueller、Yong-Xin Li、Aidan Hampson、Sheng Zhong、Clayton Harris、Christopher Marrs、Stanislaw Rachwal、Jolanta Ulas、Lena Nielsson、Gary Rogers

  DOI：10.1016/j.bmcl.2011.05.026

  日期：2011.7

  AMPA receptors (AMPARs) are an increasingly important therapeutic target in the CNS. Aniracetam, the first identified potentiator of AMPARs, led to the rigid and more potent CX614. This lead molecule was optimized in order to increase affinity towards the AMPA receptor. The substitution of the dioxine with a benzoxazinone ring system increased the activity and allowed further investigation of the sidechain SAR. (C) 2011 Elsevier Ltd. All rights reserved.