4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carboxylic acid [2-(4-methoxy-phenyl)-ethyl]-amide | 1071779-14-0

• 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-(4-methoxy-phenyl)-ethyl]-amide
• 英文别名: N-(4-methoxyphenethyl)-4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrimidine-5-carboxamide；4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
• CAS: 1071779-14-0
• 化学式: C₂₇H₂₆ClN₅O₃
• 分子量: 503.988
• InChiKey: RURBVASLDVOVQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carboxylic acid 、 2-(4-甲氧苯基)乙胺 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， 生成 4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carboxylic acid [2-(4-methoxy-phenyl)-ethyl]-amide
  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。
• [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.