N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine | 500544-13-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
• 英文别名: 2-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine
• CAS: 500544-13-8
• 化学式: C₂₇H₃₀N₆O
• 分子量: 454.575
• InChiKey: FXDWNCFVVOSWKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  75.2
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-[3-(4-硝基苯氧基)丙基]哌啶 在 palladium on carbon 、 氢气 作用下， 以 二甲基亚砜 为溶剂， 生成 N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(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.