6,7-diphenyl-4-iminopyrrolo[2,3-d][1,3]thiazin-2(1H,4H,7H)-thione | 1605289-00-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 6,7-diphenyl-4-iminopyrrolo[2,3-d][1,3]thiazin-2(1H,4H,7H)-thione
• CAS: 1605289-00-6
• 化学式: C₁₈H₁₃N₃S₂
• 分子量: 335.453
• InChiKey: MNJWIMBAAUXZOT-UHFFFAOYSA-N

物化性质

• 熔点：
  245-247 °C
• 沸点：
  552.9±52.0 °C(predicted)
• 密度：
  1.37±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  44.57
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6,7-diphenyl-4-iminopyrrolo[2,3-d][1,3]thiazin-2(1H,4H,7H)-thione 在 一水合肼 作用下， 反应 168.0h， 以70%的产率得到3-amino-6,7-diphenyl-4-imino-1,3,4,7-tetrahydro-2H-pyrrolo[2,3-d]pyrimidine-2-thione
  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
• 作为产物：
  描述：

  二硫化碳 、 2-amino-3-cyano-1,5-diphenylpyrrole 在 吡啶 作用下， 反应 3.0h， 以66%的产率得到6,7-diphenyl-4-iminopyrrolo[2,3-d][1,3]thiazin-2(1H,4H,7H)-thione
  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.