3-{3-[(2-thioxo-1,3-diazaspiro[4.5]dec-3-en-4-yl)thio]propanoyl}-1,3-diazaspiro[4.5]decane-2,4-dithione | 1177250-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-{3-[(2-thioxo-1,3-diazaspiro[4.5]dec-3-en-4-yl)thio]propanoyl}-1,3-diazaspiro[4.5]decane-2,4-dithione
• 英文别名: 1-(2,4-dithioxo-1,3-diaza-spiro[4,5]dec-3-yl)-3-(2-thioxo-1,3-diaza-spiro[4,5]dec-3-en-4-ylsulfanyl)propan-1-one；3-{3-[(2-Thioxo-1,3-diazaspiro[4.5]dec-3-en-4-yl)thio]propanoyl}-1,3-diazaspiro[4,5]decane-2,4-dithione；1-[2,4-bis(sulfanylidene)-1,3-diazaspiro[4.5]decan-3-yl]-3-[(2-sulfanylidene-1,3-diazaspiro[4.5]dec-3-en-4-yl)sulfanyl]propan-1-one
• CAS: 1177250-03-1
• 化学式: C₁₉H₂₆N₄OS₄
• 分子量: 454.706
• InChiKey: ILCRDUVDISQOCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  178
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(3-chloropropanoyl)-1,3-diazaspiro[4,5]decane-2,4-dithione 、 1,3-diazaspiro[4,5]decane-2,4-dithione potassium salt 在 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以49%的产率得到3-{3-[(2-thioxo-1,3-diazaspiro[4.5]dec-3-en-4-yl)thio]propanoyl}-1,3-diazaspiro[4.5]decane-2,4-dithione
  参考文献：
  名称：

  Synthesis of 5-spirocyclohexyl-2,4-dithiohydantoin derivatives: a potential anti-leishmaniasis agent

  摘要：

  A series of spiro-dithiohydantoins were synthesized by heating a mixture of 5-spirocyclohexyl-2,4dithiohydantoin potassium salt and 3-chloropropanoyl chloride. These compounds were synthesized and evaluated for their activity against five Leishmanial strains in the promastigote stage in vitro. Seventy-two hours inoculation of a variety of products gave an IC100 and average IC50 values of 1.25 and 0.376 mg/cm(3) against all Leishmanial strains tested.

  DOI：

  10.1007/s00706-008-0063-9