1-[3-(3,5-Dichloro-benzylamino)-propyl]-3-(4-trifluoromethyl-phenyl)-urea

• 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-(3,5-Dichloro-benzylamino)-propyl]-3-(4-trifluoromethyl-phenyl)-urea
• 英文别名: 1-[3-[(3,5-Dichlorophenyl)methylamino]propyl]-3-[4-(trifluoromethyl)phenyl]urea
• 化学式: C₁₈H₁₈Cl₂F₃N₃O
• 分子量: 420.262
• InChiKey: ARZOAKFEOIDFQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  53.2
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-三氟甲基苯基异氰酸酯 在 sodium cyanoborohydride 、 溶剂黄146 、 三氟乙酸 、 原甲酸三甲酯 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 1-[3-(3,5-Dichloro-benzylamino)-propyl]-3-(4-trifluoromethyl-phenyl)-urea
  参考文献：
  名称：

  Aryl urea analogs with broad-spectrum antibacterial activity

  摘要：

  The preparation and evaluation of novel aryl urea analogs as broad-spectrum antibacterial agents is described. Numerous compounds showed low micromolar minimum inhibitory concentrations (MIC) against both Gram-positive and Gram-negative bacteria. Selected analogs also exhibited in vivo efficacy in a lethal murine model of bacterial septicemia. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.059

文献信息

• Aryl urea analogs with broad-spectrum antibacterial activity
  作者：Punit P. Seth、Ray Ranken、Dale E. Robinson、Stephen A. Osgood、Lisa M. Risen、Elizabeth L. Rodgers、Michael T. Migawa、Elizabeth A. Jefferson、Eric E. Swayze

  DOI：10.1016/j.bmcl.2004.08.059

  日期：2004.11

  The preparation and evaluation of novel aryl urea analogs as broad-spectrum antibacterial agents is described. Numerous compounds showed low micromolar minimum inhibitory concentrations (MIC) against both Gram-positive and Gram-negative bacteria. Selected analogs also exhibited in vivo efficacy in a lethal murine model of bacterial septicemia. (C) 2004 Elsevier Ltd. All rights reserved.