1-[3-(3,5-dibromo-benzylamino)-propyl]-3-(4-trifluoromethyl-phenyl)-urea | 808103-11-9

• 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-dibromo-benzylamino)-propyl]-3-(4-trifluoromethyl-phenyl)-urea
• 英文别名: 1-[3-[(3,5-Dibromophenyl)methylamino]propyl]-3-[4-(trifluoromethyl)phenyl]urea
• CAS: 808103-11-9
• 化学式: C₁₈H₁₈Br₂F₃N₃O
• 分子量: 509.164
• InChiKey: QLKFBQLRRLSYJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 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

• 作为反应物：
  描述：

  聚合甲醛 、 1-[3-(3,5-dibromo-benzylamino)-propyl]-3-(4-trifluoromethyl-phenyl)-urea 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 1-[3-[(3,5-Dibromophenyl)methyl-methylamino]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
• 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-dibromo-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

• Novel aryl urea analogs and use thereof as antibacterial agents
  申请人：Seth P. Punit

  公开号：US20060030603A1

  公开（公告）日：2006-02-09

  Antibacterial compounds are described herein having either formula (I) or formula (II): wherein R 1A , R 1B , R 1C , R 1D , X, Z, Q, R 2A , R 2B , R 2C and R 2D are as defined herein. Compositions comprising compounds of formulas (I) and (II) are also provided.

  本文描述了具有以下式（I）或式（II）的抗菌化合物：其中R1A、R1B、R1C、R1D、X、Z、Q、R2A、R2B、R2C和R2D的定义如本文所述。还提供了包含式（I）和（II）化合物的组合物。