5-Benzyl-6-(4-benzylpiperidin-1-yl)-1-methylpyrimidine-2,4-dione | 949023-37-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 5-Benzyl-6-(4-benzylpiperidin-1-yl)-1-methylpyrimidine-2,4-dione
• CAS: 949023-37-4
• 化学式: C₂₄H₂₇N₃O₂
• 分子量: 389.497
• InChiKey: GECLHDPBRIFUEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-苄基哌啶 、 以 乙二醇甲醚 为溶剂， 反应 48.0h， 生成 5-Benzyl-6-(4-benzylpiperidin-1-yl)-1-methylpyrimidine-2,4-dione
  参考文献：
  名称：

  Discovery and optimization of novel, non-steroidal glucocorticoid receptor modulators

  摘要：

  A virtual screening approach comprising a 3-D similarity search based on known GR modulators was used to identify a novel series of non-steroidal glucocorticoid receptor (GR) antagonists. Optimization of the initial hit to provide potent compounds which exhibit good selectivity against other steroidal nuclear hormone receptors is described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.036

文献信息

• Discovery and optimization of novel, non-steroidal glucocorticoid receptor modulators
  作者：Nicholas C. Ray、Robin D. Clark、David E. Clark、Karen Williams、H.G. Hickin、Peter H. Crackett、Hazel J. Dyke、Peter M. Lockey、Melanie Wong、René Devos、Anne White、Joseph K. Belanoff

  DOI：10.1016/j.bmcl.2007.06.036

  日期：2007.9

  A virtual screening approach comprising a 3-D similarity search based on known GR modulators was used to identify a novel series of non-steroidal glucocorticoid receptor (GR) antagonists. Optimization of the initial hit to provide potent compounds which exhibit good selectivity against other steroidal nuclear hormone receptors is described. (C) 2007 Elsevier Ltd. All rights reserved.