3-(morpholin-4-yl)-5-[(pyridin-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 881817-81-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 3-(morpholin-4-yl)-5-[(pyridin-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• 英文别名: (Z)-3-morpholino-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-4-one；(5Z)-3-morpholin-4-yl-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
• CAS: 881817-81-8
• 化学式: C₁₃H₁₃N₃O₂S₂
• 分子量: 307.397
• InChiKey: JFTKTTVJOOPWDO-LUAWRHEFSA-N

物化性质

• 溶解度：
  1 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  Morpholinodithiocarbaminsaeure-carboxymethylester 在 盐酸 、 sodium acetate 作用下， 以 水 、 溶剂黄146 为溶剂， 生成 3-(morpholin-4-yl)-5-[(pyridin-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
  参考文献：
  名称：

  Synthesis and Primary Antitumor Screening of 5-Ylidene Derivatives of 3-(Morpholin-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

  摘要：

  A preparative procedure has been developed for the synthesis of 3-(morpholin-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one (3-morpholinorhodanine). Its reaction with aldehydes afforded a number of previously unknown 5-ylidene derivatives which were screened for antitumor activity. The synthesized compounds showed a moderate activity against most malignant tumor cells. The renal cancer cell lines UO31 and TK10 were found to be most sensitive to all the tested compounds.

  DOI：

  10.1134/s1070428020030148