| 1011533-42-8

• 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
• CAS: 1011533-42-8
• 化学式: C₂₈H₃₃F₃N₄O₂
• 分子量: 514.591
• InChiKey: REBFBXZZKVPDJT-FSMQOODQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.64
• 重原子数：
  37.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  57.7
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-氯-6-(三氟甲氧基)喹啉 、 1-(3-(((1R,3s,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl)-9-azabicyclo[3.3.1]non-2-en-9-yl)ethan-1-one 在 sodium t-butanolate 、 2-(二环己基膦基)联苯 作用下， 以 N-甲基吡咯烷酮 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Development of CXCR3 antagonists. Part 4: Discovery of 2-amino-(4-tropinyl)quinolines

  摘要：

  The synthesis and biological evaluation of a novel series of 2-aminoquinoline substituted piperidines and tropanes incorporating a homotropene moiety is herein described. The series exhibits potent antagonism of the CXCR3 receptor and superior physicochemical properties. Compound 24d was found to be orally bioavailable, and PK/PD studies suggested it as a suitable tool for studying the role of CXCR3 in models of disease. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.075

文献信息

• Development of CXCR3 antagonists. Part 4: Discovery of 2-amino-(4-tropinyl)quinolines
  作者：Roland L. Knight、Daniel R. Allen、Helen L. Birch、Gayle A. Chapman、Frances C. Galvin、Louise A. Jopling、Christopher J. Lock、Johannes W.G. Meissner、David A. Owen、Gilles Raphy、Robert J. Watson、Sophie C. Williams

  DOI：10.1016/j.bmcl.2007.11.075

  日期：2008.1

  The synthesis and biological evaluation of a novel series of 2-aminoquinoline substituted piperidines and tropanes incorporating a homotropene moiety is herein described. The series exhibits potent antagonism of the CXCR3 receptor and superior physicochemical properties. Compound 24d was found to be orally bioavailable, and PK/PD studies suggested it as a suitable tool for studying the role of CXCR3 in models of disease. (c) 2007 Elsevier Ltd. All rights reserved.