4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carboxylic acid 2-morpholin-4-yl-ethyl ester | 1071779-10-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carboxylic acid 2-morpholin-4-yl-ethyl ester
• 英文别名: 2-Morpholinoethyl 4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrimidine-5-carboxylate；2-morpholin-4-ylethyl 4-amino-6-(3-chloro-4-phenylmethoxyanilino)pyrimidine-5-carboxylate
• CAS: 1071779-10-6
• 化学式: C₂₄H₂₆ClN₅O₄
• 分子量: 483.955
• InChiKey: KTEDMAIKTUKLAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-吗啉乙醇 、 4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carboxylic acid 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 为溶剂， 反应 16.5h， 以28%的产率得到4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carboxylic acid 2-morpholin-4-yl-ethyl ester
  参考文献：
  名称：

  SUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE AND 5-CARBOXYLIC ESTER KINASE INHIBITORS

  摘要：

  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。

  公开号：

  US20090111810A1

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。
• [EN] SUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE AND 5-CARBOXYLIC ESTER KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE DE TYPE PYRIMIDINE-5-CARBOXAMIDES ET ESTERS D'ACIDE PYRIMIDINE-5-CARBOXYLIQUE SUBSTITUÉS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2009055299A1

  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 R1, R2, R3, R4, R5, R6, R7 and L are as defined herein and their synthesis and use as kinase inhibitors for treating a chronic or acute protein kinase mediated disease.
• 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
  作者：Terry V. Hughes、Guozhang Xu、Steven K. Wetter、Peter J. Connolly、Stuart L. Emanuel、Prabha Karnachi、Scott R. Pollack、Niranjan Pandey、Mary Adams、Sandra Moreno-Mazza、Steven A. Middleton、Lee M. Greenberger

  DOI：10.1016/j.bmcl.2008.07.057

  日期：2008.9

  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.