4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carboxylic acid N'-(3-morpholin-4-yl-propionyl)-hydrazide | 944343-02-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carboxylic acid N'-(3-morpholin-4-yl-propionyl)-hydrazide
• 英文别名: 4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N''-(3-morpholinopropanoyl)pyrimidine-5-carbohydrazide；4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N'-(3-morpholin-4-ylpropanoyl)pyrimidine-5-carbohydrazide
• CAS: 944343-02-6
• 化学式: C₂₅H₂₈ClN₇O₄
• 分子量: 525.995
• InChiKey: QXIJLZUHVBQWAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  144
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  3-(4-吗啉基)丙酸 、 4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carboxylic Acid Hydrazide 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以88%的产率得到4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carboxylic acid N'-(3-morpholin-4-yl-propionyl)-hydrazide
  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

• SUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE AND 5-CARBOXYLIC ESTER KINASE INHIBITORS
  申请人：Connolly Peter J.

  公开号：US20090111810A1

  公开（公告）日：2009-04-30

  The present invention is directed to substituted pyrimidine-5-carboxamide and 5-carboxylic ester compounds of Formula (I): and forms thereof wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and L are as defined herein and their synthesis and use as kinase inhibitors for treating a chronic or acute protein kinase mediated disease.

  本发明涉及取代嘧啶-5-甲酰胺和5-羧酸酯化合物，其具有公式(I)：以及其中R1，R2，R3，R4，R5，R6，R7和L如本文所述的定义以及它们的合成和使用，作为激酶抑制剂用于治疗慢性或急性蛋白激酶介导的疾病。
• 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