3-[2-(Cyclobutylamino)ethyl]-8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | 256941-27-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3-[2-(Cyclobutylamino)ethyl]-8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• 英文别名: 3-[2-(cyclobutylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• CAS: 256941-27-2
• 化学式: C₃₁H₄₂N₄O
• 分子量: 486.701
• InChiKey: KBWCMSUFRLCWIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  38.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(2-chloroethyl)-8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one 、 环丁基胺 以 乙醇 为溶剂， 生成 3-[2-(Cyclobutylamino)ethyl]-8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
  参考文献：
  名称：

  Synthesis and structure–activity relationships of N-substituted spiropiperidines as nociceptin receptor ligands: Part 2

  摘要：

  A series of N-8 substituted analogs based upon the spiropiperidine core of the original lead compound 1 was synthesized. This lead has been elaborated to compounds to give compounds 2 and 3 (R = H) that exhibited high NOP binding affinity as well as selectivity against other known opioid receptors. These two series have been further functionalized at the amido nitrogen. The synthesis and structure-activity relationship (SAR) of these and related compounds are discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.092

文献信息

• Synthesis and structure–activity relationships of N-substituted spiropiperidines as nociceptin receptor ligands: Part 2
  作者：John P. Caldwell、Julius J. Matasi、Xiomara Fernandez、Robbie L. McLeod、Hongtao Zhang、Ahmad Fawzi、Deen B. Tulshian

  DOI：10.1016/j.bmcl.2008.12.092

  日期：2009.2

  A series of N-8 substituted analogs based upon the spiropiperidine core of the original lead compound 1 was synthesized. This lead has been elaborated to compounds to give compounds 2 and 3 (R = H) that exhibited high NOP binding affinity as well as selectivity against other known opioid receptors. These two series have been further functionalized at the amido nitrogen. The synthesis and structure-activity relationship (SAR) of these and related compounds are discussed. (C) 2009 Elsevier Ltd. All rights reserved.