1-(4-Methoxyphenyl)-3-[2-[3-[2-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfanylpropylsulfanyl]phenyl]urea | 1087160-73-3

• 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: 1-(4-Methoxyphenyl)-3-[2-[3-[2-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfanylpropylsulfanyl]phenyl]urea
• CAS: 1087160-73-3
• 化学式: C₃₁H₃₂N₄O₄S₂
• 分子量: 588.751
• InChiKey: JTFOMLRBGKDLLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  151
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对甲氧基苯异氰酸酯 、 2,2'-[1,3-propanediylbis(thio)]bisbenzenamine dihydrochloride 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 10.0h， 以78%的产率得到1-(4-Methoxyphenyl)-3-[2-[3-[2-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfanylpropylsulfanyl]phenyl]urea
  参考文献：
  名称：

  Facile synthesis of dithiatetraaza-macrocycles of potential anti-inflammatory activity

  摘要：

  A facile synthetic approach towards dithiatetraaza-macrocycles 4a and b was achieved through reaction of 2,2'-[alkanediylbis(thio)]bisbenzenamines la and b with 1,4-phenylenediisocyanate. However, reaction of la and b with a variety of aryl-, alkylisocyanates or isothiocyanates 2a-f afforded the corresponding bisurea and their thio-analogues 3a-1. Anti-inflammatory activity of the prepared compounds (in a dose of 50 mg/kg body weight) using in vivo acute carrageenan-induced paw oedema in rats is studied. Compounds 3e and 4b reveal the best anti-inflammatory properties among all the tested compounds with potency (% oedema inhibition of the tested compounds regarding % oedema inhibition of indomethacin "which was used as a reference standard in a dose of 10 mg/kg body weight") 0.90 and 0.85, respectively. (C) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.12.010

文献信息

• Facile synthesis of dithiatetraaza-macrocycles of potential anti-inflammatory activity
  作者：Adel S. Girgis

  DOI：10.1016/j.ejmech.2007.12.010

  日期：2008.10

  A facile synthetic approach towards dithiatetraaza-macrocycles 4a and b was achieved through reaction of 2,2'-[alkanediylbis(thio)]bisbenzenamines la and b with 1,4-phenylenediisocyanate. However, reaction of la and b with a variety of aryl-, alkylisocyanates or isothiocyanates 2a-f afforded the corresponding bisurea and their thio-analogues 3a-1. Anti-inflammatory activity of the prepared compounds (in a dose of 50 mg/kg body weight) using in vivo acute carrageenan-induced paw oedema in rats is studied. Compounds 3e and 4b reveal the best anti-inflammatory properties among all the tested compounds with potency (% oedema inhibition of the tested compounds regarding % oedema inhibition of indomethacin "which was used as a reference standard in a dose of 10 mg/kg body weight") 0.90 and 0.85, respectively. (C) 2007 Elsevier Masson SAS. All rights reserved.