N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine | 500544-48-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
• 英文别名: 2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
• CAS: 500544-48-9
• 化学式: C₂₄H₂₄N₆O₂
• 分子量: 428.494
• InChiKey: LNEPMZDEABTAPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  84.4
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-氨基喹啉 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 、 异丙醇 为溶剂， 反应 12.0h， 生成 N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
  参考文献：
  名称：

  Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors

  摘要：

  The insulin-like growth factor-1 receptor (IGF-1R) plays an important role in the regulation of cell growth and differentiation, and in protection from apoptosis. IGF-1R has been shown to be an appealing target for the treatment of human cancer. Herein, we report the synthesis, structure-activity relationships (SAR), X-ray cocrystal structure and in vivo tumor study results for a series of 2,4-bis-arylamino-1,3-pyrimidines. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.075

文献信息

• Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors
  作者：John L. Buchanan、John R. Newcomb、David P. Carney、Stuart C. Chaffee、Lilly Chai、Rod Cupples、Linda F. Epstein、Paul Gallant、Yan Gu、Jean-Christophe Harmange、Kathy Hodge、Brett E. Houk、Xin Huang、Janan Jona、Smriti Joseph、H. Toni Jun、Rakesh Kumar、Chun Li、John Lu、Tom Menges、Michael J. Morrison、Perry M. Novak、Simon van der Plas、Robert Radinsky、Paul E. Rose、Satin Sawant、Ji-Rong Sun、Sekhar Surapaneni、Susan M. Turci、Keyang Xu、Evelyn Yanez、Huilin Zhao、Xiaotian Zhu

  DOI：10.1016/j.bmcl.2011.02.075

  日期：2011.4

  The insulin-like growth factor-1 receptor (IGF-1R) plays an important role in the regulation of cell growth and differentiation, and in protection from apoptosis. IGF-1R has been shown to be an appealing target for the treatment of human cancer. Herein, we report the synthesis, structure-activity relationships (SAR), X-ray cocrystal structure and in vivo tumor study results for a series of 2,4-bis-arylamino-1,3-pyrimidines. (C) 2011 Elsevier Ltd. All rights reserved.