N,N,N'N'-tetrakis(2-chloroethyl) phosphorodiamidate

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N,N'N'-tetrakis(2-chloroethyl) phosphorodiamidate
• 英文别名: Bis[bis(2-chloroethyl)amino]phosphinate
• 化学式: C₈H₁₆Cl₄N₂O₂P
• 分子量: 345.013
• InChiKey: GKHCGXABHZLRSB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[bis[bis(2-chloroethyl)amino]phosphoryloxymethyl]phenoxy]oxane-2-carboxylate 在 β-glucuronidase 、 phosphate buffer 、 carboxylate esterase 、 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 N,N,N'N'-tetrakis(2-chloroethyl) phosphorodiamidate
  参考文献：
  名称：

  A methyl glucuronate prodrug of phosphorodiamidic mustard

  摘要：

  4-[Methyl(beta-D-glucopyranosyl)uronate]benzyl N,N,N',N'-tetrakis(2-chloroethyl) phosphorodiamidate, 3, was synthesized as a neutral prodrug of N,N,N',N'-tetrakis(2-chloroethyl) phosphorodiamidate mustard, 2c. In the presence of carboxylate esterase and beta-D-glucuronidase, 3 was converted to 2c and 4-hydroxybenzyl alcohol, 7. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10419-1

文献信息

• A methyl glucuronate prodrug of phosphorodiamidic mustard
  作者：Ajit K. Ghosh、David Farquhar

  DOI：10.1016/s0040-4039(97)10419-1

  日期：1997.12

  4-[Methyl(beta-D-glucopyranosyl)uronate]benzyl N,N,N',N'-tetrakis(2-chloroethyl) phosphorodiamidate, 3, was synthesized as a neutral prodrug of N,N,N',N'-tetrakis(2-chloroethyl) phosphorodiamidate mustard, 2c. In the presence of carboxylate esterase and beta-D-glucuronidase, 3 was converted to 2c and 4-hydroxybenzyl alcohol, 7. (C) 1997 Elsevier Science Ltd.