4,5-Bis-(4-hydroxyphenyl)-1,2,3-thiadiazole | 94843-17-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4,5-Bis-(4-hydroxyphenyl)-1,2,3-thiadiazole
• 英文别名: 4-[5-(4-hydroxyphenyl)thiadiazol-4-yl]phenol
• CAS: 94843-17-1
• 化学式: C₁₄H₁₀N₂O₂S
• 分子量: 270.312
• InChiKey: OCSIAJHGDZFACK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  脱氧茴香偶姻 在 氯化亚砜 、 三溴化硼 、 对甲苯磺酸 、 肼基甲酸乙酯 作用下， 反应 3.0h， 生成 4,5-Bis-(4-hydroxyphenyl)-1,2,3-thiadiazole
  参考文献：
  名称：

  Synthesis and platelet aggregation inhibitory activity of 4,5-bis(substituted)-1,2,3-thiadiazoles

  摘要：

  Routine screening of compounds for inhibition of collagen-induced platelet aggregation in vitro revealed 4,5-bis-(4-methoxyphenyl)-1,2,3-thiadiazole (2) was active and it represents the first example of a 1,2,3-thiadiazole with possible antithrombotic activity. In order to develop a structure-activity relationship for this heterocycle, a number of new 4(5)-mono- and -disubstituted 1,2,3-thiadiazoles were synthesized. These were tested in our screen and a number of additional active compounds were found. The most active compounds (2, 5a, 5b, and 6c) were those in which the heterocycle was substituted with benzene rings possessing para electron-donating groups.

  DOI：

  10.1021/jm00382a009

文献信息

• 1,2,3-thiadiazole compounds, compositions and method of anti-thrombotic
  申请人：The Upjohn Company

  公开号：US05098918A1

  公开（公告）日：1992-03-24

  Novel 1,2,3-thiadiazole compounds, new and old 1,2,3-thiadiazole compositions and method of anti-thrombotic treatment are systemically administered to a human or animal.

  新颖和旧的1,2,3-噻二唑化合物，新的和旧的1,2,3-噻二唑组合物以及抗血栓治疗方法被系统地用于人类或动物。
• THOMAS, E. W.;NISHIZAWA, E. E.;ZIMMERMANN, D. C.;WILLIAMS, D. J., J. MED. CHEM., 1985, 28, N 4, 442-446
  作者：THOMAS, E. W.、NISHIZAWA, E. E.、ZIMMERMANN, D. C.、WILLIAMS, D. J.

  DOI：——

  日期：——