N-(3-乙酰基苯基)-2-甲氧基苯甲酰胺 | 314022-80-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(3-乙酰基苯基)-2-甲氧基苯甲酰胺
• 英文名称: N-(3-acetylphenyl)-2-methoxybenzamide
• CAS: 314022-80-5
• 化学式: C₁₆H₁₅NO₃
• mdl: MFCD00848958
• 分子量: 269.3
• InChiKey: CRFZLAZNVKJTCP-UHFFFAOYSA-N

物化性质

• 熔点：
  72-73 °C
• 沸点：
  372.3±27.0 °C(Predicted)
• 密度：
  1.203±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090
• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  N-(3-乙酰基苯基)-2-甲氧基苯甲酰胺 、 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：

  间氨基苯乙酮 、 甲氧基苯甲酰氯 以 四氢呋喃 为溶剂， 以59.7%的产率得到N-(3-乙酰基苯基)-2-甲氧基苯甲酰胺
  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.