| 1357089-64-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• CAS: 1357089-64-5
• 化学式: C₂₉H₃₄ClN₃O₆
• 分子量: 556.058
• InChiKey: IYURGBRXPLZZGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.0
• 重原子数：
  39.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  107.47
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以65%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
• 作为产物：
  描述：

  ethyl 5-(4-chlorophenyl)furan-2-carboxylate 在 sodium tetrahydroborate 、 2,2,6,6-tetramethylpiperidinylmagnesium chloride lithium chloride complex 、 偶氮二甲酸二异丙酯 、 溶剂黄146 、 三苯基膦 、 锌 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 18.0h， 生成
  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