2-(sec-butylthio)-6,7-diphenylpyrrolo[2,3-d][1,3]thiazin-4(7H)-imine | 1605289-10-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-(sec-butylthio)-6,7-diphenylpyrrolo[2,3-d][1,3]thiazin-4(7H)-imine
• 英文别名: 2-Butan-2-ylsulfanyl-6,7-diphenylpyrrolo[2,3-d][1,3]thiazin-4-imine；2-butan-2-ylsulfanyl-6,7-diphenylpyrrolo[2,3-d][1,3]thiazin-4-imine
• CAS: 1605289-10-8
• 化学式: C₂₂H₂₁N₃S₂
• 分子量: 391.561
• InChiKey: KZGLVMURNDIVDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  91.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-amino-3-cyano-1,5-diphenylpyrrole 在 吡啶 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 27.0h， 生成 2-(sec-butylthio)-6,7-diphenylpyrrolo[2,3-d][1,3]thiazin-4(7H)-imine
  参考文献：
  名称：

  Design, synthesis and evaluation of novel diaryl pyrrolopyrimidine and pyrrolothiazine derivatives as inhibitors of tumor necrosis factor stimulated gene-14 (TSG-14) production

  摘要：

  A novel series of pyrrolothiazines 2-4 and pyrrolopyrimidines 5-7 have been synthesized. The structures of these compounds were established by spectroscopic and element microanalytical data. The newly synthesized compounds were evaluated as inhibitors of TSG-14. The most effective results were obtained by the S-sec-butyl derivatives 6e (80%) and the N-ethyl derivatives 4e (70%). (C) 2014 Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2014.03.068

文献信息

• Design, synthesis and evaluation of novel diaryl pyrrolopyrimidine and pyrrolothiazine derivatives as inhibitors of tumor necrosis factor stimulated gene-14 (TSG-14) production
  作者：Khalid M.H. Hilmy、Dalia H. Soliman、Esmat B.A. Shahin、Hala S. El-Deeb、Salah M. El-Kousy

  DOI：10.1016/j.ejmech.2014.03.068

  日期：2014.5

  A novel series of pyrrolothiazines 2-4 and pyrrolopyrimidines 5-7 have been synthesized. The structures of these compounds were established by spectroscopic and element microanalytical data. The newly synthesized compounds were evaluated as inhibitors of TSG-14. The most effective results were obtained by the S-sec-butyl derivatives 6e (80%) and the N-ethyl derivatives 4e (70%). (C) 2014 Published by Elsevier Masson SAS.