6-[3-[4-(4-Fluorophenyl)piperazin-1-yl]-2-hydroxy-propyl]-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione | 1263470-85-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 6-[3-[4-(4-Fluorophenyl)piperazin-1-yl]-2-hydroxy-propyl]-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
• 英文别名: 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
• CAS: 1263470-85-4
• 化学式: C₁₉H₂₂FN₃O₃S₂
• 分子量: 423.532
• InChiKey: XELUQPAHRGWIAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5,6-二氢-1,4-二噻烯-2,3-二羧(甲)酰亚胺 在 potassium carbonate 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 生成 6-[3-[4-(4-Fluorophenyl)piperazin-1-yl]-2-hydroxy-propyl]-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
  参考文献：
  名称：

  Biological evaluation of novel 1,4-dithiine derivatives as potential antimicrobial agents

  摘要：

  The preparation of twelve aminoalkanol derivatives of 2,3-dihydro-5H-[1,4]dithiino[2,3-c]pyrrole-5,7(6H)-dione was described. Newly obtained compounds, as well as their propyl and butyl analogues, were evaluated in vitro against selected viruses. Selected derivatives were tested for their antibacterial and antifungal activity. Compounds 3h, 3j, 4b and 5a-d showed moderate to significant protections against CVB-2, HSV-1 and YFV viruses. The molecular structures of 4a, 5c and 5g were determined by an X-ray analysis.

  DOI：

  10.1007/s00044-010-9513-0

文献信息

• Biological evaluation of novel 1,4-dithiine derivatives as potential antimicrobial agents
  作者：Anna Bielenica、Jerzy Kossakowski、Marta Struga、Izabela Dybała、Paolo La Colla、Elena Tamburini、Roberta Loddo

  DOI：10.1007/s00044-010-9513-0

  日期：2011.11

  The preparation of twelve aminoalkanol derivatives of 2,3-dihydro-5H-[1,4]dithiino[2,3-c]pyrrole-5,7(6H)-dione was described. Newly obtained compounds, as well as their propyl and butyl analogues, were evaluated in vitro against selected viruses. Selected derivatives were tested for their antibacterial and antifungal activity. Compounds 3h, 3j, 4b and 5a-d showed moderate to significant protections against CVB-2, HSV-1 and YFV viruses. The molecular structures of 4a, 5c and 5g were determined by an X-ray analysis.