N-phenyl-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide | 1208657-99-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: N-phenyl-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
• 英文别名: 4-(benzenesulfonyl)-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
• CAS: 1208657-99-1
• 化学式: C₂₀H₂₃N₃O₄S
• 分子量: 401.486
• InChiKey: PSNAGDYUZGSURB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  87.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-Cbz-4-哌啶酮 在 吡啶 、 palladium 10% on activated carbon 、 氢气 、 对甲苯磺酸 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 23.0h， 生成 N-phenyl-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
  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.