4-(8-Chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-6-yl)benzoyl chloride | 460346-46-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-(8-Chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-6-yl)benzoyl chloride
• CAS: 460346-46-7
• 化学式: C₂₀H₁₈Cl₂N₂O₂
• 分子量: 389.281
• InChiKey: QCFMZZWCHUNPIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(8-Chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-6-yl)benzoyl chloride 在 氨 作用下， 以 甲苯 为溶剂， 生成 4-(8-Chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-6-yl)benzamide
  参考文献：
  名称：

  Spiroquinazolinones as novel, potent, and selective PDE7 inhibitors. Part 1

  摘要：

  The synthesis and SAR studies of spiroquinazolinones as novel PDE7 inhibitors are discussed. The best compounds from the series displayed nanomolar inhibitory affinity and were selective versus other PDE isoenzymes. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.011
• 作为产物：
  描述：

  4-羧基苯硼酸 在 四(三苯基膦)钯 、 氯化亚砜 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 4-(8-Chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-6-yl)benzoyl chloride
  参考文献：
  名称：

  Spiroquinazolinones as novel, potent, and selective PDE7 inhibitors. Part 1

  摘要：

  The synthesis and SAR studies of spiroquinazolinones as novel PDE7 inhibitors are discussed. The best compounds from the series displayed nanomolar inhibitory affinity and were selective versus other PDE isoenzymes. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.011

文献信息

• Spiroquinazolinones as novel, potent, and selective PDE7 inhibitors. Part 1
  作者：Edwige Lorthiois、Patrick Bernardelli、Fabrice Vergne、Chrystelle Oliveira、Abdel-Kader Mafroud、Emmanuelle Proust、Lamia Heuze、François Moreau、Moulay Idrissi、Anita Tertre、Bernadette Bertin、Magali Coupe、Roger Wrigglesworth、Arnaud Descours、Patricia Soulard、Patrick Berna

  DOI：10.1016/j.bmcl.2004.07.011

  日期：2004.9

  The synthesis and SAR studies of spiroquinazolinones as novel PDE7 inhibitors are discussed. The best compounds from the series displayed nanomolar inhibitory affinity and were selective versus other PDE isoenzymes. (C) 2004 Elsevier Ltd. All rights reserved.