N-phenyl-N¹-(1,4-dicarboxyethyl)thiocarbamide | 110443-53-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-phenyl-N¹-(1,4-dicarboxyethyl)thiocarbamide
• 英文别名: 2-(Phenylcarbamothioylamino)butanedioic acid
• CAS: 110443-53-3
• 化学式: C₁₁H₁₂N₂O₄S
• 分子量: 268.293
• InChiKey: FKGGQOPBNPQMFT-UHFFFAOYSA-N

物化性质

• 沸点：
  434.5±55.0 °C(Predicted)
• 密度：
  1.504±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  131
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-phenyl-N¹-(1,4-dicarboxyethyl)thiocarbamide 以 乙醇 为溶剂， 反应 0.25h， 生成 苯基硫代乙内酰脲-天冬氨酸
  参考文献：
  名称：

  Synthèse de dérivés de la 2-thio hydantoïne à potentialité immunorégulatrice et anticancéreuse

  摘要：

  Functionallized 2-thiohydantoins were synthesized. Their immunomodulating and anticancer actions were evaluated. It is shown that for these potentially active products on chronic inflammatory diseases involving cellular-mediated immunity the development of immunomodulating activity is related to the cyclised thiourea structure. Anticancer activity is weak. These biological activities are however insufficient to promote an industrial development.

  DOI：

  10.1016/0223-5234(92)90011-o
• 作为产物：
  描述：

  硫代异氰酸苯酯 、 DL-天门冬氨酸 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 N-phenyl-N¹-(1,4-dicarboxyethyl)thiocarbamide
  参考文献：
  名称：

  Synthèse de dérivés de la 2-thio hydantoïne à potentialité immunorégulatrice et anticancéreuse

  摘要：

  Functionallized 2-thiohydantoins were synthesized. Their immunomodulating and anticancer actions were evaluated. It is shown that for these potentially active products on chronic inflammatory diseases involving cellular-mediated immunity the development of immunomodulating activity is related to the cyclised thiourea structure. Anticancer activity is weak. These biological activities are however insufficient to promote an industrial development.

  DOI：

  10.1016/0223-5234(92)90011-o

文献信息

• MITTAL, P. S.;KUMAR, NARINDER;TANEJA, A. D., J. INDIAN CHEM. SOC., 65,(1988) N 5, 382-384
  作者：MITTAL, P. S.、KUMAR, NARINDER、TANEJA, A. D.

  DOI：——

  日期：——
• JPH04310862A
  申请人：——

  公开号：JPH04310862A

  公开（公告）日：1992-11-02
• Synthèse de dérivés de la 2-thio hydantoïne à potentialité immunorégulatrice et anticancéreuse
  作者：M Blanc、M Cussac、A Boucherle、G Leclerc

  DOI：10.1016/0223-5234(92)90011-o

  日期：1992.4

  Functionallized 2-thiohydantoins were synthesized. Their immunomodulating and anticancer actions were evaluated. It is shown that for these potentially active products on chronic inflammatory diseases involving cellular-mediated immunity the development of immunomodulating activity is related to the cyclised thiourea structure. Anticancer activity is weak. These biological activities are however insufficient to promote an industrial development.