| 1357089-57-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• CAS: 1357089-57-6
• 化学式: C₁₆H₁₃ClN₂O₃
• 分子量: 316.744
• InChiKey: UXRYWGANWJLEPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.17
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  68.12
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 potassium tert-butylate 、 二异丁基氢化铝 、 caesium carbonate 、 溶剂黄146 、 锌 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 12-(4-chlorophenyl)-10H-benzo[b]furo[2,3-f]imidazo[1,2-d][1,4]oxazocin-7-amine
  参考文献：
  名称：

  Facile synthesis of tetracyclic azepine and oxazocine derivatives and their potential as MAPKAP-K2 (MK2) inhibitors

  摘要：

  Facile synthesis of two new series of tetracyclic azepine and oxazocine analogs is described. These analogs were evaluated for their potential as MAPKAP-K2 (MK2) inhibitors and several were found to be potent at inhibiting MK2 with a non-ATP competitive binding mode. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.11.113
• 作为产物：
  描述：

  在 碘苯二乙酸 、 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 12.0h， 以77%的产率得到
  参考文献：
  名称：

  Facile synthesis of tetracyclic azepine and oxazocine derivatives and their potential as MAPKAP-K2 (MK2) inhibitors

  摘要：

  Facile synthesis of two new series of tetracyclic azepine and oxazocine analogs is described. These analogs were evaluated for their potential as MAPKAP-K2 (MK2) inhibitors and several were found to be potent at inhibiting MK2 with a non-ATP competitive binding mode. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.11.113