3-[3-(3-Chloroanilino)-5-methyl-imidazol-4-yl]benzamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[3-(3-Chloroanilino)-5-methyl-imidazol-4-yl]benzamide
• 英文别名: 3-[3-(3-chloroanilino)-5-methylimidazol-4-yl]benzamide
• 化学式: C₁₇H₁₅ClN₄O
• 分子量: 326.785
• InChiKey: YTFBNCWPZAXUBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  72.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-丙酰苯甲腈 在 氢氧化钾 、 硫酸 、 氨 、 双氧水 、 溴 、 溶剂黄146 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 51.08h， 生成 3-[3-(3-Chloroanilino)-5-methyl-imidazol-4-yl]benzamide
  参考文献：
  名称：

  N-Aminoimidazole Derivatives Inhibiting Retroviral Replication via a Yet Unidentified Mode of Action

  摘要：

  The synthesis of a series of N-aminoimidazoles (NAIMs) with an uncommon spectrum of antiretroviral activity is described. From a group of 60 closely related molecules, we were able to subdivide the molecules in different groups based on their anti-HIV and anti-SIV activity in vitro (i) molecules acting on a new, immediate postintegration step, (ii) molecules acting on both postintegration and HIV-1 reverse transcriptase (RT) as NNRTI, and (iii) molecules that mainly act at the HIV-1 RT according to an NNRTI-type mode of action.

  DOI：

  10.1021/jm0211117

文献信息

• <i>N</i>-Aminoimidazole Derivatives Inhibiting Retroviral Replication via a Yet Unidentified Mode of Action
  作者：Irene M. Lagoja、Christophe Pannecouque、Arthur Van Aerschot、Myriam Witvrouw、Zeger Debyser、Jan Balzarini、Piet Herdewijn、Erik De Clercq

  DOI：10.1021/jm0211117

  日期：2003.4.1

  The synthesis of a series of N-aminoimidazoles (NAIMs) with an uncommon spectrum of antiretroviral activity is described. From a group of 60 closely related molecules, we were able to subdivide the molecules in different groups based on their anti-HIV and anti-SIV activity in vitro (i) molecules acting on a new, immediate postintegration step, (ii) molecules acting on both postintegration and HIV-1 reverse transcriptase (RT) as NNRTI, and (iii) molecules that mainly act at the HIV-1 RT according to an NNRTI-type mode of action.