hydroxyethylidenediphosphonic acid | 76267-75-9

• 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: hydroxyethylidenediphosphonic acid
• 英文别名: l-hydroxyethylidene-1,1-diphosphonic acid；hydroxyethylidene-1,1-diphosphonic acid；Hydroxyethylidene Bisphosphonic Acid；hydroxyethane 1,1-diphosphonic acid；hydroxyethylidene diphosphonic acid；hydroxyethylidenephosphonic acid；(2-hydroxy-1-phosphonoethyl)phosphonic acid
• CAS: 76267-75-9
• 化学式: C₂H₈O₇P₂
• 分子量: 206.029
• InChiKey: BAERPNBPLZWCES-UHFFFAOYSA-N

物化性质

• 沸点：
  648.3±65.0 °C(Predicted)
• 密度：
  2.107±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.9
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  135
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  hydroxyethylidenediphosphonic acid 、 三氯化铬 在 sodium acetate 、 锌 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  摘要：

  The complex formation of chromium(II) with hydroxyethylidenediphosphonic acid (HEDP, H5L) in an aqueous solution is studied by spectrophotometry. The pH region is determined where the HEDP complexonates of chromium(II) are stable. The effect of DH on the complexation and the composition of the coordination sphere of the complex ions is shown. The optimum conditions for the practical application of HEDP as a stabilizing ligand are chosen. The instability constants for tetra-, tri-, di-, and monoprotonated and neutral chromium(II) hydroxyethylidenediphosphonate complexes were calculated, whose pK were found to be 1.21, 2.43, 6.87, 12.60, 19.40, respectively. A new complex of chromium(II), Na-4[CT(H2L)(2). 2H(2)O]. 4H(2)O, was isolated from a solution and characterized using elemental, IR spectroscopic, and thermographic analyses.

  DOI：

  10.1023/a:1009536824427
• 作为产物：
  描述：

  乙酰氯 生成 hydroxyethylidenediphosphonic acid
  参考文献：
  名称：

  Radiolabelled bisphosphonates and method

  摘要：

  本发明涉及作为放射治疗放射性药物的32P或33P标记的双膦酸盐。这些32P或33P标记的双膦酸盐与未标记的药物在化学上是相同的，预计它们会以相同的方式靶向病变部位，同时对周围细胞产生显著的放射细胞毒作用。鉴于从33P核素发射的β粒子的有利能学特性，这应该导致与肿瘤病变相关的细胞的增殖能力下降。双膦酸盐的相对稳定性和体内定位使它们成为32P/33P输送载体的良好候选者。

  公开号：

  US06534488B1

文献信息

• KLEEMANN, STEPHAN;EHRET, WERNER
  作者：KLEEMANN, STEPHAN、EHRET, WERNER

  DOI：——

  日期：——
• MAKAREVICH, L. A.;RESHETNIKOV, YU. P.;GLAZUNOVA, I. L.;SAMOLYUK, S. I., TR./ VNII XIM. REAKTIVOV I OSOBO CHIST. XIM. VESHCHESTV,(1988) N 50, S. 5+
  作者：MAKAREVICH, L. A.、RESHETNIKOV, YU. P.、GLAZUNOVA, I. L.、SAMOLYUK, S. I.

  DOI：——

  日期：——
• Radiolabelled bisphosphonates and method
  申请人：Amersham plc

  公开号：US06534488B1

  公开（公告）日：2003-03-18

  The present invention relates to 32P or 33P-labelled bisphosphonates as radiotherapeutic radiopharmaceuticals. The 32P- or 33P-labelled bisphosphonates, which are chemically identical to the unlabelled agent, are expected to target the lesion site in an identical manner, but also deliver a significant radiocytotoxic effect to the surrounding cells. This should result, given the favorable energetics of the &bgr; particle emission from the 33P nuclide, in a loss of proliferative capacity of cells associated with the tumor lesion. The relative stability and in vivo localisation of bisphosphonates makes them good candidates as 32P/33P delivery vehicles.

  本发明涉及作为放射治疗放射性药物的32P或33P标记的双膦酸盐。这些32P或33P标记的双膦酸盐与未标记的药物在化学上是相同的，预计它们会以相同的方式靶向病变部位，同时对周围细胞产生显著的放射细胞毒作用。鉴于从33P核素发射的β粒子的有利能学特性，这应该导致与肿瘤病变相关的细胞的增殖能力下降。双膦酸盐的相对稳定性和体内定位使它们成为32P/33P输送载体的良好候选者。
• ——
  作者：T. V. Popova、T. V. Smotrina、O. N. Denisova、N. V. Aksenova

  DOI：10.1023/a:1009536824427

  日期：——

  The complex formation of chromium(II) with hydroxyethylidenediphosphonic acid (HEDP, H5L) in an aqueous solution is studied by spectrophotometry. The pH region is determined where the HEDP complexonates of chromium(II) are stable. The effect of DH on the complexation and the composition of the coordination sphere of the complex ions is shown. The optimum conditions for the practical application of HEDP as a stabilizing ligand are chosen. The instability constants for tetra-, tri-, di-, and monoprotonated and neutral chromium(II) hydroxyethylidenediphosphonate complexes were calculated, whose pK were found to be 1.21, 2.43, 6.87, 12.60, 19.40, respectively. A new complex of chromium(II), Na-4[CT(H2L)(2). 2H(2)O]. 4H(2)O, was isolated from a solution and characterized using elemental, IR spectroscopic, and thermographic analyses.