2-(3,5-diacetylphenoxy)-N-(3,5-diacetylphenyl)acetamide | 1268376-37-9

• 英文名称: 2-(3,5-diacetylphenoxy)-N-(3,5-diacetylphenyl)acetamide
• CAS: 1268376-37-9
• 化学式: C₂₂H₂₁NO₆
• 分子量: 395.412
• InChiKey: IOXSQAKUONCMHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.51
• 重原子数：
  29.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  106.61
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-(3,5-diacetylphenoxy)-N-(3,5-diacetylphenyl)acetamide 、 肼甲酰亚胺酰胺一氯化氢 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 2-[3,5-bis[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]-N-[3,5-bis[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]acetamide
  参考文献：
  名称：

  New furin inhibitors based on weakly basic amidinohydrazones

  摘要：

  A novel series of amidinohydrazone-derived furin inhibitors was prepared; the most potent compounds 17 and 21 inhibit furin with K-i values of 0.46 and 0.59 mu M, respectively. In contrast to inhibitor 17, which still contains a guanidino residue, compound 21 possesses only weakly basic amidinohydrazone groups. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.092
• 作为产物：
  描述：

  2-chloro-N-(3,5-diacetylphenyl)acetamide 、 1,3-diacetyl-5-hydroxybenzene 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 5.0h， 生成 2-(3,5-diacetylphenoxy)-N-(3,5-diacetylphenyl)acetamide
  参考文献：
  名称：

  New furin inhibitors based on weakly basic amidinohydrazones

  摘要：

  A novel series of amidinohydrazone-derived furin inhibitors was prepared; the most potent compounds 17 and 21 inhibit furin with K-i values of 0.46 and 0.59 mu M, respectively. In contrast to inhibitor 17, which still contains a guanidino residue, compound 21 possesses only weakly basic amidinohydrazone groups. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.092