3,3,3',3'-tetramethyl-1,1'-(4-benzo[1,3]dioxol-5-yl-[1,2,4]dithiazolidine-3,5-diylidene)-bis-thiourea | 51593-17-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 3,3,3',3'-tetramethyl-1,1'-(4-benzo[1,3]dioxol-5-yl-[1,2,4]dithiazolidine-3,5-diylidene)-bis-thiourea
• 英文别名: 3-[4-(1,3-Benzodioxol-5-yl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea
• CAS: 51593-17-0
• 化学式: C₁₅H₁₇N₅O₂S₄
• 分子量: 427.596
• InChiKey: XUGJFKHVMVEQAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  168
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N,N-Dimethylthiocarbamoylisothiocyanat 、 benzo[1,3]dioxol-5-yl-(5-dimethylamino-[1,2,4]dithiazol-3-ylidene)-amine 在 乙腈 作用下， 以 二氯甲烷 为溶剂， 生成 3,3,3',3'-tetramethyl-1,1'-(4-benzo[1,3]dioxol-5-yl-[1,2,4]dithiazolidine-3,5-diylidene)-bis-thiourea
  参考文献：
  名称：

  Imino-1,2,4-dithiazoles. II. Dipolar additions

  摘要：

  DOI：

  10.1021/jo00929a020

文献信息

• EGR1 TARGETING MOLECULES FOR THE TREATMENT OF INFLAMMATORY AND HYPERPROLIFERATIVE CONDITIONS
  申请人：The Medical Research, Infrastructure and Health Services Fund of the Tel Aviv Medical Center

  公开号：US20180289728A1

  公开（公告）日：2018-10-11

  A method of treating an inflammation or a hyperproliferative disease in a subject in need thereof is disclosed. The method comprising administering to the subject a therapeutically effective amount of a compound selected from the group consisting of: a compound represented by Formula I: or a pharmaceutically acceptable salt thereof, a compound represented by Formula II: and a compound represented by Formula III: wherein the variables in Formulae I, II and III are as defined in the specification.
• Imino-1,2,4-dithiazoles. II. Dipolar additions
  作者：James E. Oliver、Richard T. Brown

  DOI：10.1021/jo00929a020

  日期：1974.7