2-(4-chlorobenzyl)-2,8-diazospiro[4.5]decan-1-one | 1185196-69-3

• 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: 2-(4-chlorobenzyl)-2,8-diazospiro[4.5]decan-1-one
• 英文别名: 2-[(4-Chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
• CAS: 1185196-69-3
• 化学式: C₁₅H₁₉ClN₂O
• 分子量: 278.782
• InChiKey: KILLSWQXXIVLDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  氯代双(4-氟苯基甲烷) 、 2-(4-chlorobenzyl)-2,8-diazospiro[4.5]decan-1-one 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以17%的产率得到2-(4-chlorobenzyl)-8-(4,4-difluorobenzhydryl)-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

文献信息

• Design, syntheses, and SAR of 2,8-diazaspiro[4.5]decanones as T-type calcium channel antagonists
  作者：Paul C. Fritch、Jeffrey Krajewski

  DOI：10.1016/j.bmcl.2010.09.098

  日期：2010.11

  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.