2-[3-(trifluoromethylsulfanyl)phenyl]-N-[2-[3-(trifluoromethylsulfanyl)phenyl]ethylsulfamoylsulfamoyl]ethanamine | 82173-96-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-[3-(trifluoromethylsulfanyl)phenyl]-N-[2-[3-(trifluoromethylsulfanyl)phenyl]ethylsulfamoylsulfamoyl]ethanamine
• CAS: 82173-96-4
• 化学式: C₁₈H₁₉F₆N₃O₄S₄
• 分子量: 583.621
• InChiKey: VHRKOQFSBFBIDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  172
• 氢给体数：
  3
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  3-(三氟甲硫基)苯甲醇 在 亚氨基二砜氯化物 、 氯化亚砜 、 三乙胺 、 sodium iodide 、 diborane(6) 作用下， 以 四氢呋喃 、 乙醇 、 水 、 乙腈 为溶剂， 反应 50.5h， 生成 2-[3-(trifluoromethylsulfanyl)phenyl]-N-[2-[3-(trifluoromethylsulfanyl)phenyl]ethylsulfamoylsulfamoyl]ethanamine
  参考文献：
  名称：

  Imidodisulfamides. 1. A novel class of antagonists of slow-reacting substance of anaphylaxis

  摘要：

  A series of N',N"-bis(aryl)- and N',N"-(aralkyl)imidodisulfamides was prepared and evaluated as antagonists of slow-reacting substance of anaphylaxis (SRS-A) induced contractions of isolated guinea pig ileum. Some of these compounds, notably N',N"-bis(4-phenylbutyl)-, N',N"-bis[2-(4-chlorophenyl)ethyl]-, and N',N"-bis[2-(4-bromophenyl)ethyl]imidodisulfamides (16, 22, and 26), were moderately potent and selective antagonists of SRS-A. The influence of lipophilic (pi) and electronic (sigma) factors on SRS-A antagonist activity appears to be of considerable importance to the derivation of potent and selective SRS-A antagonists.

  DOI：

  10.1021/jm00350a012

文献信息

• ALI, F. EL-FEHAIL;DANDRIDGE, P. A.;GLEASON, J. G.;KRELL, R. D.;KRUSE, C. +, J. MED. CHEM., 1982, 25, N 8, 947-952
  作者：ALI, F. EL-FEHAIL、DANDRIDGE, P. A.、GLEASON, J. G.、KRELL, R. D.、KRUSE, C. +

  DOI：——

  日期：——
• Imidodisulfamides. 1. A novel class of antagonists of slow-reacting substance of anaphylaxis
  作者：Fadia El-Fehail Ali、Penelope A. Dandridge、John G. Gleason、Robert D. Krell、Carolyn H. Kruse、Patricia G. Lavanchy、Kenneth M. Snader

  DOI：10.1021/jm00350a012

  日期：1982.8

  A series of N',N"-bis(aryl)- and N',N"-(aralkyl)imidodisulfamides was prepared and evaluated as antagonists of slow-reacting substance of anaphylaxis (SRS-A) induced contractions of isolated guinea pig ileum. Some of these compounds, notably N',N"-bis(4-phenylbutyl)-, N',N"-bis[2-(4-chlorophenyl)ethyl]-, and N',N"-bis[2-(4-bromophenyl)ethyl]imidodisulfamides (16, 22, and 26), were moderately potent and selective antagonists of SRS-A. The influence of lipophilic (pi) and electronic (sigma) factors on SRS-A antagonist activity appears to be of considerable importance to the derivation of potent and selective SRS-A antagonists.