1-Ethoxy-2-[4-[1-ethoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-2-yl]butyl]-6-(1,4,5,6-tetrahydropyrimidin-2-yl)indole | 1429919-40-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-Ethoxy-2-[4-[1-ethoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-2-yl]butyl]-6-(1,4,5,6-tetrahydropyrimidin-2-yl)indole
• 英文别名: 1-ethoxy-2-[4-[1-ethoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-2-yl]butyl]-6-(1,4,5,6-tetrahydropyrimidin-2-yl)indole
• CAS: 1429919-40-3
• 化学式: C₃₂H₄₀N₆O₂
• 分子量: 540.709
• InChiKey: OUTGVORFLSEUKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  77.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  溴化1,6-六亚甲基二(三苯基磷) 在 sodium hexamethyldisilazane 、 亚磷酸三乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 38.75h， 生成 1-Ethoxy-2-[4-[1-ethoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-2-yl]butyl]-6-(1,4,5,6-tetrahydropyrimidin-2-yl)indole 、 1-ethoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]butyl]indole
  参考文献：
  名称：

  Potent and broad-spectrum antibacterial activity of indole-based bisamidine antibiotics: Synthesis and SAR of novel analogs of MBX 1066 and MBX 1090

  摘要：

  The prevalence of drug-resistant bacteria in the clinic has propelled a concerted effort to find new classes of antibiotics that will circumvent current modes of resistance. We have previously described a set of bisamidine antibiotics that contains a core composed of two indoles and a central linker. The first compounds of the series, MBX 1066 and MBX 1090, have potent antibacterial properties against a wide range of Gram-positive and Gram-negative bacteria. We have conducted a systematic exploration of the amidine functionalities, the central linker, and substituents at the indole 3-position to determine the factors involved in potent antibacterial activity. Some of the newly synthesized compounds have even more potent and broad-spectrum activity than MBX 1066 and MBX 1090. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.10.014

文献信息

• [EN] ANTIFUNGAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIFONGIQUES
  申请人：MICROBIOTIX INC

  公开号：WO2013052263A2

  公开（公告）日：2013-04-11

  The invention provides fungicide and/or antifungal organic compounds and compositions thereof that kill or inhibit growth of cells of one or more microbial pathogens.