2,5-bis[4-(N'-ethoxycarbonylthioureido)phenyl]thiophene | 939792-37-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,5-bis[4-(N'-ethoxycarbonylthioureido)phenyl]thiophene
• CAS: 939792-37-7
• 化学式: C₂₄H₂₄N₄O₄S₃
• 分子量: 528.677
• InChiKey: PZTCLIGCAYFJGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.97
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  100.72
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2,5-bis[4-(N'-ethoxycarbonylthioureido)phenyl]thiophene 在 氢氧化钾 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 2-propan-2-yl-1-[4-[5-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]thiophen-2-yl]phenyl]guanidine
  参考文献：
  名称：

  Synthesis and antiparasitic evaluation of bis-2,5-[4-guanidinophenyl]thiophenes

  摘要：

  A series of bis-2,5-[4-guanidinophenyl]thiophenes were prepared in a five step process starting from 2,5-bis[trimethylstannyl]thiophene. The compounds were evaluated in vitro against Trypanosoma brucei rhodesiense (T. b. r.),, Plasmodium falciparum (P. f), Leshmania donovani (L. d.) and Trypanasoma cruzi (T. c.), and in vivo against T. b. r. Certain compounds show promising in vitro activity against T. b. r. and P. f and have superior in vivo activity against T. b. r. to that of pentamidine and furamidine. (c) 2007 Elsevier Masson SAS. All rights rights served.

  DOI：

  10.1016/j.ejmech.2006.11.006
• 作为产物：
  描述：

  2,5-bis(4-nitrophenyl)thiophene 在 tin(ll) chloride 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 2,5-bis[4-(N'-ethoxycarbonylthioureido)phenyl]thiophene
  参考文献：
  名称：

  Synthesis and antiparasitic evaluation of bis-2,5-[4-guanidinophenyl]thiophenes

  摘要：

  A series of bis-2,5-[4-guanidinophenyl]thiophenes were prepared in a five step process starting from 2,5-bis[trimethylstannyl]thiophene. The compounds were evaluated in vitro against Trypanosoma brucei rhodesiense (T. b. r.),, Plasmodium falciparum (P. f), Leshmania donovani (L. d.) and Trypanasoma cruzi (T. c.), and in vivo against T. b. r. Certain compounds show promising in vitro activity against T. b. r. and P. f and have superior in vivo activity against T. b. r. to that of pentamidine and furamidine. (c) 2007 Elsevier Masson SAS. All rights rights served.

  DOI：

  10.1016/j.ejmech.2006.11.006