9-(4-Chlorophenyl)-16-piperazin-1-yl-8,13-dioxa-2,5-diazatetracyclo[12.4.0.02,6.07,11]octadeca-1(14),3,5,7(11),9,15,17-heptaene | 1357089-46-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 9-(4-Chlorophenyl)-16-piperazin-1-yl-8,13-dioxa-2,5-diazatetracyclo[12.4.0.02,6.07,11]octadeca-1(14),3,5,7(11),9,15,17-heptaene
• CAS: 1357089-46-3
• 化学式: C₂₄H₂₁ClN₄O₂
• 分子量: 432.909
• InChiKey: RFJBIIHNLZVSQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  55.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (5-(4-chlorophenyl)-2-(1H-imidazol-2-yl)furan-3-yl)methanol 在 aluminum oxide 、 potassium tert-butylate 、 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 32.0h， 生成 9-(4-Chlorophenyl)-16-piperazin-1-yl-8,13-dioxa-2,5-diazatetracyclo[12.4.0.02,6.07,11]octadeca-1(14),3,5,7(11),9,15,17-heptaene
  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

文献信息

• Facile synthesis of tetracyclic azepine and oxazocine derivatives and their potential as MAPKAP-K2 (MK2) inhibitors
  作者：Ashwin U. Rao、Dong Xiao、Xianhai Huang、Wei Zhou、James Fossetta、Dan Lundell、Fang Tian、Prashant Trivedi、Robert Aslanian、Anandan Palani

  DOI：10.1016/j.bmcl.2011.11.113

  日期：2012.1

  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.