2-[4-[2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethylsulfanyl]ethoxy]phenyl]-4,5-dihydro-1H-imidazole | 1612926-74-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[4-[2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethylsulfanyl]ethoxy]phenyl]-4,5-dihydro-1H-imidazole
• CAS: 1612926-74-5
• 化学式: C₂₂H₂₆N₄O₂S
• 分子量: 410.54
• InChiKey: JWLXYBVGRBCUSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  92.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[4-[2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethylsulfanyl]ethoxy]phenyl]-4,5-dihydro-1H-imidazole 在 盐酸 作用下， 以 乙醇 为溶剂， 以0.84 g的产率得到1,5-bis[4-(4,5-dihydro-2-imidazolyl)phenoxy]-3-thiapentane dihydrochloride
  参考文献：
  名称：

  In vitro screening of pentamidine analogs against bacterial and fungal strains

  摘要：

  A series of linear pentamidine analogs exhibiting low cytotoxicity, active against Pneumocystis carinii, were evaluated for in vitro activities against bacterial and fungal strains. The majority of the tested bis-amidines exhibited marked activities against Gram-positive strains. In view of the fact that the highest potency was found for 1,5-bis(4-amidinophenoxy)-3-thiapentane dihydrochloride 1j with the S atom in the middle of the aliphatic linker, four new pentamidines bearing S atoms were synthesized and also evaluated against MRSA strains. N,N'-Dialkylated pentamidines with S atoms in the linker are the promising lead structures for antimicrobials development. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.075
• 作为产物：
  描述：

  1,5-bis(4-cyanophenoxy)-3-thiapentane 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 51.0h， 生成 2-[4-[2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethylsulfanyl]ethoxy]phenyl]-4,5-dihydro-1H-imidazole
  参考文献：
  名称：

  In vitro screening of pentamidine analogs against bacterial and fungal strains

  摘要：

  A series of linear pentamidine analogs exhibiting low cytotoxicity, active against Pneumocystis carinii, were evaluated for in vitro activities against bacterial and fungal strains. The majority of the tested bis-amidines exhibited marked activities against Gram-positive strains. In view of the fact that the highest potency was found for 1,5-bis(4-amidinophenoxy)-3-thiapentane dihydrochloride 1j with the S atom in the middle of the aliphatic linker, four new pentamidines bearing S atoms were synthesized and also evaluated against MRSA strains. N,N'-Dialkylated pentamidines with S atoms in the linker are the promising lead structures for antimicrobials development. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.075