O,O-diethyl-1-[[N'-(2-chloroethyl)-N'-(1',1'-dimethylethoxy)carbonyl]sulfamido]ethanephosphonate | 566878-04-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: O,O-diethyl-1-[[N'-(2-chloroethyl)-N'-(1',1'-dimethylethoxy)carbonyl]sulfamido]ethanephosphonate
• 英文别名: tert-butyl N-(2-chloroethyl)-N-(1-diethoxyphosphorylethylsulfamoyl)carbamate
• CAS: 566878-04-4
• 化学式: C₁₃H₂₈ClN₂O₇PS
• 分子量: 422.867
• InChiKey: FJPSHGFWJJEVAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  25
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  120
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  O,O-diethyl-1-[[N'-(2-chloroethyl)-N'-(1',1'-dimethylethoxy)carbonyl]sulfamido]ethanephosphonate 在 甲酸 、 三氟乙酸 、 sodium nitrite 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 O,O-diethyl-1-[[N'-(2-chloroethyl)-N'-nitroso]sulfamido]ethanephosphonate
  参考文献：
  名称：

  Synthesis and biological evaluation of Fotemustine analogues on human melanoma cell lines

  摘要：

  Two new analogues of Fotemustine have been synthesized and tested on two melanoma cell lines. Compounds 4 and 8 proved to be more potent than the reference compound on A375 cell line which express the MGMT enzyme involved in the chemoresistance of tumoral cells. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(03)00014-x
• 作为产物：
  描述：

  1-氨基乙基膦酸二乙酯 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 9.0h， 生成 O,O-diethyl-1-[[N'-(2-chloroethyl)-N'-(1',1'-dimethylethoxy)carbonyl]sulfamido]ethanephosphonate
  参考文献：
  名称：

  Synthesis and biological evaluation of Fotemustine analogues on human melanoma cell lines

  摘要：

  Two new analogues of Fotemustine have been synthesized and tested on two melanoma cell lines. Compounds 4 and 8 proved to be more potent than the reference compound on A375 cell line which express the MGMT enzyme involved in the chemoresistance of tumoral cells. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(03)00014-x

文献信息

• Synthesis and biological evaluation of Fotemustine analogues on human melanoma cell lines
  作者：Jean-Yves Winum、Jean-Luc Bouissière、Isabelle Passagne、Alexandre Evrard、Véronique Montero、Pierre Cuq、Jean-Louis Montero

  DOI：10.1016/s0223-5234(03)00014-x

  日期：2003.3

  Two new analogues of Fotemustine have been synthesized and tested on two melanoma cell lines. Compounds 4 and 8 proved to be more potent than the reference compound on A375 cell line which express the MGMT enzyme involved in the chemoresistance of tumoral cells. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.