S-2-(3-aminopropylamino)ethyl 4-chlorophenyl sulfide

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: S-2-(3-aminopropylamino)ethyl 4-chlorophenyl sulfide
• 英文别名: N'-[2-(4-chlorophenyl)sulfanylethyl]propane-1,3-diamine
• 化学式: C₁₁H₁₇ClN₂S
• 分子量: 244.788
• InChiKey: CAPWHQAYDTXGEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  63.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-bromoethyl-1,3-propanediamine dihydrobromide 、 4-氯苯硫酚 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 3.0h， 以100%的产率得到S-2-(3-aminopropylamino)ethyl 4-chlorophenyl sulfide
  参考文献：
  名称：

  Novel S-Substituted Aminoalkylamino Ethanethiols as Potential Antidotes against Sulfur Mustard Toxicity

  摘要：

  Sulfur mustard (SM) is a highly toxic chemical warfare agent. A satisfactory treatment regimen is not yet available for this toxicant. In a search for an effective antidote against SM, a series of novel S-2(omega-aminoalkylamino)ethyl alkyl/aryl thioethers [H2N(CH2)(n)NHCH2CH2SR], where R = alky, alicyclic, aryl, and heterocyclic substituents, have been designed and synthesized as candidate antidotes against SM toxicity. These compounds were screened for their protective efficacy through the oral route against dermally applied sulfur mustard in female mice measured on the basis of percent survival following percutaneous administration of SM. A number of compounds demonstrated significant protection.

  DOI：

  10.1021/jm030099v

文献信息

• Novel S-Substituted Aminoalkylamino Ethanethiols as Potential Antidotes against Sulfur Mustard Toxicity
  作者：Uma Pathak、Syed K. Raza、A. S. Kulkarni、Rajagopalan Vijayaraghvan、Pravin Kumar、Devendra K. Jaiswal

  DOI：10.1021/jm030099v

  日期：2004.7.1

  Sulfur mustard (SM) is a highly toxic chemical warfare agent. A satisfactory treatment regimen is not yet available for this toxicant. In a search for an effective antidote against SM, a series of novel S-2(omega-aminoalkylamino)ethyl alkyl/aryl thioethers [H2N(CH2)(n)NHCH2CH2SR], where R = alky, alicyclic, aryl, and heterocyclic substituents, have been designed and synthesized as candidate antidotes against SM toxicity. These compounds were screened for their protective efficacy through the oral route against dermally applied sulfur mustard in female mice measured on the basis of percent survival following percutaneous administration of SM. A number of compounds demonstrated significant protection.