1-[3-[(4-Chlorophenyl)methylamino]phenyl]ethanone | 1063752-61-3

• 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: 1-[3-[(4-Chlorophenyl)methylamino]phenyl]ethanone
• 英文别名: 1-[3-[(4-chlorophenyl)methylamino]phenyl]ethanone
• CAS: 1063752-61-3
• 化学式: C₁₅H₁₄ClNO
• 分子量: 259.735
• InChiKey: MUAVAELQECQLGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  草酸二甲酯 、 1-[3-[(4-Chlorophenyl)methylamino]phenyl]ethanone 在 sodium methylate 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Effects of the aryl linker and the aromatic substituent on the anti-HCV activities of aryl diketoacid (ADK) analogues

  摘要：

  Based on our pharmacophore model of the aryl diketoacids (ADKs), we designed and prepared a series of novel ADK analogues, which showed potent inhibitory activities against the NS5B polymerase in the submicromolar range. Pharmacophore-guided docking study revealed that the antiviral activities of the ADKs are highly dependent upon the aryl linker as well as the size and position of the aromatic substituent. It is of another importance that, unlike previously reported ADKs, three ADK analogues synthesized in this study effectively blocked Hepatitis C Virus (HCV) replication in the replicon systems. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.008
• 作为产物：
  描述：

  间氨基苯乙酮 、 4-氯苄溴 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 1-[3-[(4-Chlorophenyl)methylamino]phenyl]ethanone
  参考文献：
  名称：

  Effects of the aryl linker and the aromatic substituent on the anti-HCV activities of aryl diketoacid (ADK) analogues

  摘要：

  Based on our pharmacophore model of the aryl diketoacids (ADKs), we designed and prepared a series of novel ADK analogues, which showed potent inhibitory activities against the NS5B polymerase in the submicromolar range. Pharmacophore-guided docking study revealed that the antiviral activities of the ADKs are highly dependent upon the aryl linker as well as the size and position of the aromatic substituent. It is of another importance that, unlike previously reported ADKs, three ADK analogues synthesized in this study effectively blocked Hepatitis C Virus (HCV) replication in the replicon systems. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.008

文献信息

• Effects of the aryl linker and the aromatic substituent on the anti-HCV activities of aryl diketoacid (ADK) analogues
  作者：Jinyoung Kim、Ki-Sun Kim、Hyo Seon Lee、Kwang-Su Park、Sun Young Park、Seock-Yong Kang、Soo Jae Lee、Hyung Soon Park、Dong-Eun Kim、Youhoon Chong

  DOI：10.1016/j.bmcl.2008.07.008

  日期：2008.8

  Based on our pharmacophore model of the aryl diketoacids (ADKs), we designed and prepared a series of novel ADK analogues, which showed potent inhibitory activities against the NS5B polymerase in the submicromolar range. Pharmacophore-guided docking study revealed that the antiviral activities of the ADKs are highly dependent upon the aryl linker as well as the size and position of the aromatic substituent. It is of another importance that, unlike previously reported ADKs, three ADK analogues synthesized in this study effectively blocked Hepatitis C Virus (HCV) replication in the replicon systems. (C) 2008 Elsevier Ltd. All rights reserved.