N-(3-acetylphenyl)-3-(4-fluorophenyl)acrylamide | 1153623-53-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(3-acetylphenyl)-3-(4-fluorophenyl)acrylamide
• 英文别名: (E)-N-(3-acetylphenyl)-3-(4-fluorophenyl)prop-2-enamide
• CAS: 1153623-53-0
• 化学式: C₁₇H₁₄FNO₂
• 分子量: 283.302
• InChiKey: PXWIUDDOHJFDIG-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(3-acetylphenyl)-3-(4-fluorophenyl)acrylamide 、 草酸二乙酯 在 sodium methylate 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 生成
  参考文献：
  名称：

  Amide-containing diketoacids as HIV-1 integrase inhibitors: Synthesis, structure–activity relationship analysis, and biological activity

  摘要：

  HIV-1 integrase, which catalyzes the integration of the viral genome into the cellular chromosome, is an essential enzyme for retroviral replication, and represents an attractive and validated target in the development of therapeutics against AIDS. In this paper, 17 amide-containing novel diketoacids were designed and synthesized, and their ability to inhibit HIV-1 integrase was tested. The structure-activity relationships were also analyzed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.01.077
• 作为产物：
  描述：

  3-(4-氟苯基)-2-丙烯酰氯 、 间氨基苯乙酮 以 四氢呋喃 为溶剂， 以52.4%的产率得到N-(3-acetylphenyl)-3-(4-fluorophenyl)acrylamide
  参考文献：
  名称：

  Amide-containing diketoacids as HIV-1 integrase inhibitors: Synthesis, structure–activity relationship analysis, and biological activity

  摘要：

  HIV-1 integrase, which catalyzes the integration of the viral genome into the cellular chromosome, is an essential enzyme for retroviral replication, and represents an attractive and validated target in the development of therapeutics against AIDS. In this paper, 17 amide-containing novel diketoacids were designed and synthesized, and their ability to inhibit HIV-1 integrase was tested. The structure-activity relationships were also analyzed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.01.077

文献信息

• Amide-containing diketoacids as HIV-1 integrase inhibitors: Synthesis, structure–activity relationship analysis, and biological activity
  作者：Hongcai Li、Chao Wang、Tino Sanchez、Yanmei Tan、Chunying Jiang、Nouri Neamati、Guisen Zhao

  DOI：10.1016/j.bmc.2009.01.077

  日期：2009.4

  HIV-1 integrase, which catalyzes the integration of the viral genome into the cellular chromosome, is an essential enzyme for retroviral replication, and represents an attractive and validated target in the development of therapeutics against AIDS. In this paper, 17 amide-containing novel diketoacids were designed and synthesized, and their ability to inhibit HIV-1 integrase was tested. The structure-activity relationships were also analyzed. (C) 2009 Elsevier Ltd. All rights reserved.