8-(2-Quinoxalinyl)-1,4-dioxa-8-azaspiro[4.5]decane | 1181870-74-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 8-(2-Quinoxalinyl)-1,4-dioxa-8-azaspiro[4.5]decane
• 英文别名: 8-quinoxalin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane
• CAS: 1181870-74-5
• 化学式: C₁₅H₁₇N₃O₂
• 分子量: 271.319
• InChiKey: WDKOCRQKQQWWPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  47.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8-(2-Quinoxalinyl)-1,4-dioxa-8-azaspiro[4.5]decane 在 对甲苯磺酸 作用下， 以 水 、 丙酮 为溶剂， 以12%的产率得到1-quinoxalin-2-ylpiperidin-4-one
  参考文献：
  名称：

  Discovery of spiropiperidine-based potent and selective Orexin-2 receptor antagonists

  摘要：

  To generate novel human Orexin-2 Receptor (OX2R) antagonists, a spiropiperidine based scaffold was designed and a SAR study was carried out. Compound 4f possessed the highest OX2R antagonistic activity with an IC50 value of 3 nM with 450-fold selectivity against Orexin-1 Receptor (OX1R). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.094
• 作为产物：
  描述：

  2-氯喹恶啉 、 4-哌啶酮缩乙二醇 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以87%的产率得到8-(2-Quinoxalinyl)-1,4-dioxa-8-azaspiro[4.5]decane
  参考文献：
  名称：

  Discovery of spiropiperidine-based potent and selective Orexin-2 receptor antagonists

  摘要：

  To generate novel human Orexin-2 Receptor (OX2R) antagonists, a spiropiperidine based scaffold was designed and a SAR study was carried out. Compound 4f possessed the highest OX2R antagonistic activity with an IC50 value of 3 nM with 450-fold selectivity against Orexin-1 Receptor (OX1R). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.094

文献信息

• Discovery of spiropiperidine-based potent and selective Orexin-2 receptor antagonists
  作者：Tatsuhiko Fujimoto、Yoshihide Tomata、Jun Kunitomo、Mariko Hirozane、Shogo Marui

  DOI：10.1016/j.bmcl.2011.08.094

  日期：2011.11

  To generate novel human Orexin-2 Receptor (OX2R) antagonists, a spiropiperidine based scaffold was designed and a SAR study was carried out. Compound 4f possessed the highest OX2R antagonistic activity with an IC50 value of 3 nM with 450-fold selectivity against Orexin-1 Receptor (OX1R). (C) 2011 Elsevier Ltd. All rights reserved.