(3aR,7aR)-1-(1-Cyclooctyl-piperidin-4-yl)-octahydro-benzoimidazol-2-one

• 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: (3aR,7aR)-1-(1-Cyclooctyl-piperidin-4-yl)-octahydro-benzoimidazol-2-one
• 英文别名: (3aR,7aR)-3-(1-cyclooctylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
• 化学式: C₂₀H₃₅N₃O
• 分子量: 333.517
• InChiKey: SIKXVXOGIUHXJZ-RTBURBONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-叔丁氧羰基-4-哌啶酮 在 三乙酰氧基硼氢化钠 、 三氟乙酸 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 、 乙腈 为溶剂， 生成 (3aR,7aR)-1-(1-Cyclooctyl-piperidin-4-yl)-octahydro-benzoimidazol-2-one
  参考文献：
  名称：

  Design and synthesis of novel small molecule N/OFQ receptor antagonists

  摘要：

  Small molecule N/OFQ receptor antagonists were designed and synthesized to further investigate the therapeutic potential of N/OFQ receptor modulators. The resulting octahydrobenzimidazol-2-ones 14 and 23 show excellent antagonistic activity towards both N/OFQ and mu receptors with high affinity to the human N/OFQ receptor. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.083

文献信息

• Design and synthesis of novel small molecule N/OFQ receptor antagonists
  作者：Zhengming Chen、R.Richard Goehring、Kenneth J. Valenzano、Donald J. Kyle

  DOI：10.1016/j.bmcl.2003.11.083

  日期：2004.3

  Small molecule N/OFQ receptor antagonists were designed and synthesized to further investigate the therapeutic potential of N/OFQ receptor modulators. The resulting octahydrobenzimidazol-2-ones 14 and 23 show excellent antagonistic activity towards both N/OFQ and mu receptors with high affinity to the human N/OFQ receptor. (C) 2003 Elsevier Ltd. All rights reserved.