8-[Bis(2-chlorophenyl)methyl]-3-(3-methylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | 754173-04-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 8-[Bis(2-chlorophenyl)methyl]-3-(3-methylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• CAS: 754173-04-1
• 化学式: C₃₁H₃₅Cl₂N₃O
• 分子量: 536.544
• InChiKey: XCHMPVBATAQYON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  26.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  8-[Bis(2-chlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one 、 1-溴代异戊烷 在 sodium hydroxide 、 四丁基硫酸氢铵 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 生成 8-[Bis(2-chlorophenyl)methyl]-3-(3-methylbutyl)-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