(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)thiourea | 171288-72-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (5-Sulfamoyl-1,3,4-thiadiazol-2-yl)thiourea
• CAS: 171288-72-5
• 化学式: C₃H₅N₅O₂S₃
• 分子量: 239.303
• InChiKey: WTKXNKAVWBALRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  193
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (5-Sulfamoyl-1,3,4-thiadiazol-2-yl)thiourea 在 盐酸 、 碘 、 potassium iodide 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 2,5-bis-(2-sulfamoyl-1,3,4-thiadiazol-5-yl-amino)-1,3,4-thiadiazole
  参考文献：
  名称：

  Supuran, Claudiu T., Revue Roumaine de Chimie, 1995, vol. 40, # 7-8, p. 643 - 652

  摘要：

  DOI：
• 作为产物：
  描述：

  potassium thioacyanate 、 乙酰唑胺杂质4 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以87%的产率得到(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)thiourea
  参考文献：
  名称：

  Supuran, Claudiu T., Revue Roumaine de Chimie, 1995, vol. 40, # 7-8, p. 643 - 652

  摘要：

  DOI：

文献信息

• Carbonic anhydrase inhibitors - Part 49: Synthesis of substituted ureido and thioureido derivatives of aromatic/heterocyclic sulfonamides with increased affinities for isozyme I
  作者：Claudiu T. Supuran、Andrea Scozzafava、Bogdan C. Jurca、Marc A. Ilies

  DOI：10.1016/s0223-5234(98)80033-0

  日期：1998.2

  Reaction of nine aromatic/heterocyclic sulfonamides containing a free amino group with aryl isocyanates/isothiocyanates or allyl isothiocyanate afforded the corresponding urea/thiourea derivatives, which were characterized by standard physico-chemical procedures and assayed as inhibitors of three isozymes of carbonic anhydrase (CA), i.e. hCA I, hCA II and bCA IV (h = human, b = bovine isozyme). Another series of compounds, 1,5-disubstituted-2-thiobiuret derivatives, were prepared by reaction of 3,4-dichlorophenyl isocyanate with thioureido-containing aromatic/heterocyclic sulfonamides. Good inhibition of all these three CA isozymes was observed with the new compounds, but an exciting finding was that the ureas/thioureas and especially the above-mentioned thiobiurets reported here have an increased affinity to the slow isozyme hCA I, generally less susceptible to inhibition by sulfonamides, as compared to the rapid isozymes hCA II and bCA IV. Some of the new compounds might constitute good lead molecules for developing more selective CA I inhibitors. (C) Elsevier, Paris.
• Antoniu, Ariana; Supuran, Claudiu T.; Brezeanu, Maria, Revue Roumaine de Chimie, 1995, vol. 40, # 2, p. 203 - 207
  作者：Antoniu, Ariana、Supuran, Claudiu T.、Brezeanu, Maria

  DOI：——

  日期：——