8-[Bis(4-fluorophenyl)methyl]-2-[(3-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one | 1257999-82-8

• 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(4-fluorophenyl)methyl]-2-[(3-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
• CAS: 1257999-82-8
• 化学式: C₂₈H₂₇ClF₂N₂O
• 分子量: 480.985
• InChiKey: AXQFLQMGUDIROD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  氯代双(4-氟苯基甲烷) 、 2-[(3-Chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 8-[Bis(4-fluorophenyl)methyl]-2-[(3-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
  参考文献：
  名称：

  Design, syntheses, and SAR of 2,8-diazaspiro[4.5]decanones as T-type calcium channel antagonists

  摘要：

  It was hypothesized that an appropriately substituted 2,8-diazaspiro[4.5]decan-1-one could effectively approximate a 5-feature T-type pharmacophore model published in the literature. Compounds were designed and synthesized to test our hypothesis and were found to be potent T-type calcium channel inhibitors with modest selectivity over L-type calcium channels. The synthesis and SAR of the series is described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.098