9-(4-Chlorophenyl)-15-piperazin-1-yl-8-oxa-2,5-diazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7(11),9,14,16-heptaene | 1357089-39-4

• 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)-15-piperazin-1-yl-8-oxa-2,5-diazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7(11),9,14,16-heptaene
• CAS: 1357089-39-4
• 化学式: C₂₄H₂₁ClN₄O
• 分子量: 416.91
• InChiKey: MEYZYVFRRYUEJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 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：
  46.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Benzyl 4-[4-amino-3-[[5-(4-chlorophenyl)-2-ethoxycarbonylfuran-3-yl]methyl]phenyl]piperazine-1-carboxylate 在 盐酸 、 三甲基硅咪唑 、 lithium hexamethyldisilazane 、 三氯氧磷 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 10.0h， 生成 9-(4-Chlorophenyl)-15-piperazin-1-yl-8-oxa-2,5-diazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7(11),9,14,16-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.