二乙基(1,3-二氧戊环-2-甲撑)磷酸盐 | 17053-09-7

• 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
• 中文名称: 二乙基(1,3-二氧戊环-2-甲撑)磷酸盐
• 英文名称: 2-diethylphosphonomethyl-1,3-dioxolan
• 英文别名: Diethyl ((1,3-dioxolan-2-yl)methyl)phosphonate；2-(diethoxyphosphorylmethyl)-1,3-dioxolane
• CAS: 17053-09-7
• 化学式: C₈H₁₇O₅P
• 分子量: 224.194
• InChiKey: HSSAUZCHJFPHHE-UHFFFAOYSA-N

物化性质

• 沸点：
  303.5±17.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  二乙基(1,3-二氧戊环-2-甲撑)磷酸盐 在 盐酸 、 水 作用下， 反应 0.25h， 生成 (甲酰基甲基)磷酸二乙酯
  参考文献：
  名称：

  Acyclic phosph(on)ate inhibitors of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase

  摘要：

  The pathogenic protozoa responsible for malaria lack enzymes for the de novo synthesis of purines and rely on purine salvage from the host. In Plasmodium falciparum (Pf), hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) converts hypoxanthine to inosine monophosphate and is essential for purine salvage making the enzyme an anti-malarial drug target. We have synthesized a number of simple acyclic aza-C-nucleosides and shown that some are potent inhibitors of Pf HGXPRT while showing excellent selectivity for the Pf versus the human enzyme. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.02.016
• 作为产物：
  描述：

  2-溴甲基-1,3-二氧戊烷 、 亚磷酸三乙酯 反应 18.0h， 生成 二乙基(1,3-二氧戊环-2-甲撑)磷酸盐
  参考文献：
  名称：

  Acyclic phosph(on)ate inhibitors of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase

  摘要：

  The pathogenic protozoa responsible for malaria lack enzymes for the de novo synthesis of purines and rely on purine salvage from the host. In Plasmodium falciparum (Pf), hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) converts hypoxanthine to inosine monophosphate and is essential for purine salvage making the enzyme an anti-malarial drug target. We have synthesized a number of simple acyclic aza-C-nucleosides and shown that some are potent inhibitors of Pf HGXPRT while showing excellent selectivity for the Pf versus the human enzyme. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.02.016

文献信息

• US4325727A
  申请人：——

  公开号：US4325727A

  公开（公告）日：1982-04-20
• Acyclic phosph(on)ate inhibitors of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase
  作者：Keith Clinch、Douglas R. Crump、Gary B. Evans、Keith Z. Hazleton、Jennifer M. Mason、Vern L. Schramm、Peter C. Tyler

  DOI：10.1016/j.bmc.2013.02.016

  日期：2013.9

  The pathogenic protozoa responsible for malaria lack enzymes for the de novo synthesis of purines and rely on purine salvage from the host. In Plasmodium falciparum (Pf), hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) converts hypoxanthine to inosine monophosphate and is essential for purine salvage making the enzyme an anti-malarial drug target. We have synthesized a number of simple acyclic aza-C-nucleosides and shown that some are potent inhibitors of Pf HGXPRT while showing excellent selectivity for the Pf versus the human enzyme. (C) 2013 Elsevier Ltd. All rights reserved.