P,P'-[1-羟基-2-(2-吡啶基)亚乙基]二膦酸 | 105462-23-5

• 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: P,P'-[1-羟基-2-(2-吡啶基)亚乙基]二膦酸
• 中文别名: 2-吡啶基羟基亚乙基二膦酸；利塞膦酸钠杂质A；利塞膦酸相关物质A
• 英文名称: 1-hydroxy-2-(2-pyridinyl)ethylidene bisphosphonic acid
• 英文别名: NE-58018；2-(2-pyridyl)-1-hydroxy-ethane-1,1-bisphosphonate；risedronic acid；1-hydroxy-2-(2-pyridyl)ethylidene-1,1-bisphosphonic acid；1-hydroxo-2-(2-pyridyl)ethylidene-1,1-bisphosphonic acid；2-(2-pyridyl)-1-hydroxy-ethane-1,1-diphosphonic acid；2-(2-pyridyl)-1-hydroxyethane-1,1-bisphosphonic acid；1-hydroxy-2-(2-pyridyl)ethane-1,1-diphosphonic acid；1-hydroxo-2-(3-pyridyl)ethylidenediphosphonate；RIS；(1-Hydroxy-2-(pyridin-2-yl)ethylidene)bis(phosphonic acid)；(1-hydroxy-1-phosphono-2-pyridin-2-ylethyl)phosphonic acid
• CAS: 105462-23-5
• 化学式: C₇H₁₁NO₇P₂
• 分子量: 283.114
• InChiKey: XXNASZAYANFLID-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于水基（轻微）、甲醇（轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  148
• 氢给体数：
  5
• 氢受体数：
  8

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  P,P'-[1-羟基-2-(2-吡啶基)亚乙基]二膦酸 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 生成 1-hydroxy-2-(2-pyridinyl)ethylidenebisphosphonic acid monosodium
  参考文献：
  名称：

  Microwave-assisted efficient synthesis of bisphosphonate libraries: a useful procedure for the preparation of bisphosphonates containing nitrogen and sulfur

  摘要：

  Microwave-assisted rapid and efficient procedure for the synthesis of bisphosphonate and their libraries is described in solvent-free medium. Bisphosphonates having nitrogen and sulfur are synthesized following this new procedure. This procedure is simple and can be useful for the generation of compound libraries of a class of bone-resorptive inhibitors such as N- and N-, S- containing bisphosphonates.

  DOI：

  10.1007/s00044-012-0153-4
• 作为产物：
  描述：

  2-吡啶基乙酸 在 对甲酚 、 磷酸 、 三氯化磷 、 水 作用下， 以82%的产率得到P,P'-[1-羟基-2-(2-吡啶基)亚乙基]二膦酸
  参考文献：
  名称：

  以酚为介质合成 1-羟基-1,1-双膦酸的新方法

  摘要：

  摘要 描述了在苯酚中合成双膦酸盐的简便合成路线。一些目前用于临床的双膦酸盐制剂，如利塞膦酸和阿仑膦酸钠，是按照这种新的、简单的方法合成的。该程序可用于大量合成此类骨吸收抑制剂。

  DOI：

  10.1080/00397910701578545

文献信息

• PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS
  申请人：Rose Yannick Stephane

  公开号：US20110263534A1

  公开（公告）日：2011-10-27

  The present invention relates to phosphonated Rifamycins, and methods of making and using such compounds. These compounds are useful as antibiotics for prophylaxis and/or the treatment of bone and joint infections, especially for the prophylaxis and/or treatment of osteomyelitis.

  本发明涉及磷酸化利福霉素以及制备和使用这类化合物的方法。这些化合物可用作预防和/或治疗骨骼和关节感染的抗生素，特别是用于预防和/或治疗骨髓炎。
• Novel Procedure for the Synthesis of 1‐Hydroxy‐1,1‐bisphosphonic Acids using Phenols as Medium
  作者：Divvela V. N. Srinivasa Rao、Ramesh Dandala、Garimella K. A. S. S. Narayanan、Racha Lenin、M. Sivakumaran、Andra Naidu

  DOI：10.1080/00397910701578545

  日期：2007.11

  Abstract A facile synthetic route for the synthesis of bisphosphonates in phenols is described. Preparations of some of bisphosphonates, which are presently in clinical use such as risedronic acid and alendronate sodium, are synthesized following this new, simple method. This procedure can be useful for the synthesis of this class of bone‐resorptive inhibitors in bulk quantities.

  摘要 描述了在苯酚中合成双膦酸盐的简便合成路线。一些目前用于临床的双膦酸盐制剂，如利塞膦酸和阿仑膦酸钠，是按照这种新的、简单的方法合成的。该程序可用于大量合成此类骨吸收抑制剂。
• Pharmaceutical compositions and methods comprising combinations of 2-alkylidene-19-nor-vitamin D derivatives and a bisphosphonate
  申请人：Lee G. Andrew

  公开号：US20050065117A1

  公开（公告）日：2005-03-24

  The present invention relates to pharmaceutical compositions and methods of treatment comprising administering to a patient in need thereof a combination of a 2-alkylidene-19-nor-vitamin D derivative and a bisphosphonate. Particularly, the present invention relates to pharmaceutical compositions and methods of treatment comprising administering to a patient in need thereof 2-methylene-19-nor-20(S)-1α, 25-dihydroxyvitamin D 3 and a bisphosphonate.

  本发明涉及制药组合物和治疗方法，包括向需要的患者施用2-烷基亚甲基-19-去氢维生素D衍生物和双膦酸盐的组合物。特别是，本发明涉及制药组合物和治疗方法，包括向需要的患者施用2-亚甲基-19-去氢-20(S)-1α, 25-二羟基维生素D3和双膦酸盐。
• Quaternary nitrogen-containing phosphonate compounds, pharmaceutical
  申请人：Procter & Gamble Pharmaceuticals, Inc.

  公开号：US05391743A1

  公开（公告）日：1995-02-21

  The present invention relates to quaternary nitrogen-containing phosphonate compounds, and the pharmaceutically-acceptable salts and esters thereof and having the general structure: ##STR1## wherein R.sup.1, R.sup.2, R.sup.5 and R.sup.8 are defined in claim 1, m and n are integers from 0 to 10; m+n is from 0 to 10; Z is a saturated, unsaturated, or aromatic, monocyclic or polycyclic carbocycle or monocyclic or polycyclic heterocycle containing one or more heteroatoms selected from O, S, or N, wherein at least one heteroatom is a quaternary nitrogen atom; R is COOH; PO.sub.3 H.sub.2 ; SO.sub.3 H; or P(O)(OH)R.sub.4, wherein R.sub.4 is substituted or unsubstituted alkyl of 1-8 carbon atoms; The present invention further relates to pharmaceutical compositions containing a safe and effective amount of a compound of the present invention, and pharmaceutically-acceptable excipients. Finally, the present invention relates to methods for treating or preventing pathological conditions characterized by abnormal calcium and phosphate metabolism such as osteoporosis, rheumatoid arthritis, and osteoarthritis in humans or other mammals and to methods for treating or preventing dental calculus, plaque and gingivitis.

  本发明涉及四元氮含磷酸酯化合物，以及其药学上可接受的盐和酯，具有以下一般结构：其中R.sup.1、R.sup.2、R.sup.5和R.sup.8在权利要求书中定义，m和n是0到10的整数；m+n是0到10；Z是饱和、不饱和或芳香的单环或多环碳环或含有来自O、S或N的一个或多个杂原子的单环或多环杂环，其中至少一个杂原子是四元氮原子；R是COOH；PO.sub.3 H.sub.2；SO.sub.3 H；或P(O)(OH)R.sub.4，其中R.sub.4是1-8个碳原子的取代或未取代的烷基；本发明还涉及含有本发明化合物的安全有效量的药物组合物，以及药学上可接受的赋形剂。最后，本发明涉及治疗或预防由异常的钙和磷代谢所表征的病理状况的方法，如骨质疏松症、类风湿性关节炎和骨关节炎，在人类或其他哺乳动物中治疗或预防牙石、牙菌斑和牙龈炎的方法。
• Process for the Preparation of Risedronate Sodium
  申请人：Kumar Neela Praveen

  公开号：US20100317859A1

  公开（公告）日：2010-12-16

  Disclosed herein is an improved, commercially viable and industrially advantageous process for the preparation of risedronic acid or a pharmaceutically acceptable salt thereof, in high yield and purity.

  本文揭示了一种改进的、商业可行的和在工业上具有优势的过程，用于制备利多卡酸或其药用可接受的盐，产率高，纯度高。