8'-Chloro-1'h-spiro[cyclohexane-1,4'-quinazolin]-2'(3'h)-one | 460345-45-3

• 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: 8'-Chloro-1'h-spiro[cyclohexane-1,4'-quinazolin]-2'(3'h)-one
• 英文别名: 8-chlorospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
• CAS: 460345-45-3
• 化学式: C₁₃H₁₅ClN₂O
• 分子量: 250.728
• InChiKey: JYCHFFXFIDUIDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  8'-Chloro-1'h-spiro[cyclohexane-1,4'-quinazolin]-2'(3'h)-one 在 N-碘代丁二酰亚胺 、 硫酸 、 三氟乙酸 作用下， 生成 8-Chloro-6-iodospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
  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：

  2-氯苯脲 、 环己酮 在 PPA 作用下， 生成 8'-Chloro-1'h-spiro[cyclohexane-1,4'-quinazolin]-2'(3'h)-one
  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.