N-(4-benzyloxy-3-chloro-phenyl)-5-[5-(2-morpholin-4-yl-ethyl)-[1,3,4]oxadiazol-2-yl]-pyrimidine-4,6-diamine | 944343-00-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-(4-benzyloxy-3-chloro-phenyl)-5-[5-(2-morpholin-4-yl-ethyl)-[1,3,4]oxadiazol-2-yl]-pyrimidine-4,6-diamine
• 英文别名: 4-N-(3-chloro-4-phenylmethoxyphenyl)-5-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]pyrimidine-4,6-diamine
• CAS: 944343-00-4
• 化学式: C₂₅H₂₆ClN₇O₃
• 分子量: 507.98
• InChiKey: ASRPLHQXFWEEDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carboxylic acid N'-(3-morpholin-4-yl-propionyl)-hydrazide 在 三乙胺 、 对甲苯磺酰氯 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到N-(4-benzyloxy-3-chloro-phenyl)-5-[5-(2-morpholin-4-yl-ethyl)-[1,3,4]oxadiazol-2-yl]-pyrimidine-4,6-diamine
  参考文献：
  名称：

  A novel 5-[1,3,4-oxadiazol-2-yl]-N-aryl-4,6-pyrimidine diamine having dual EGFR/HER2 kinase activity: Design, synthesis, and biological activity

  摘要：

  A novel 5-[1,3,4-oxadiazol-2-yl]-N-aryl-4,6-pyrimidine diamine was synthesized and found to have potent dual EGFR/HER2 kinase inhibitory activity. The structure-based drug design of this molecule as well as the kinase and cellular inhibition of HER2 kinase dependent cell lines will be discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.057

文献信息

• PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES
  申请人：Chen Hongfeng

  公开号：US20080249304A1

  公开（公告）日：2008-10-09

  The present invention is directed to a process for chemoselective substitution on a halopyrimidine carboxaldehyde having multiple reactive sites and subsequent stereoselective oxime formation.

  本发明涉及一种针对具有多个反应位点的卤代嘧啶羧醛的化学选择性取代过程，以及随后的立体选择性肟形成。
• SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS
  申请人：Xu Guozhang

  公开号：US20070270425A1

  公开（公告）日：2007-11-22

  The present invention is directed to substituted pyrimidine compounds of formula (I): and forms thereof, their synthesis and use for treating, preventing or ameliorating a chronic or acute protein kinase mediated disease, disorder or condition.

  本发明涉及公式（I）的取代嘧啶化合物及其形式，它们的合成和用于治疗、预防或改善慢性或急性蛋白激酶介导的疾病、疾病或病况。
• Substituted Pyrimidinyl Oxime Kinase Inhibitors
  申请人：Battista Kathleen A.

  公开号：US20120157412A1

  公开（公告）日：2012-06-21

  The present invention is directed to substituted pyrimidine compounds of formula (I): and forms thereof, their synthesis and use for treating, preventing or ameliorating a chronic or acute protein kinase mediated disease, disorder or condition.

  本发明涉及式(I)的取代嘧啶化合物及其形式，它们的合成和用于治疗、预防或改善慢性或急性蛋白激酶介导的疾病、紊乱或状况的用途。
• WO2007/81630
  申请人：——

  公开号：——

  公开（公告）日：——
• US8153791B2
  申请人：——

  公开号：US8153791B2

  公开（公告）日：2012-04-10