alendronate sodium trihydrate | 260055-05-8

• 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: alendronate sodium trihydrate
• 英文别名: sodium alendronate trihydrate；Alendronate monosodium monohydrate；sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;hydrate
• CAS: 260055-05-8
• 化学式: C₄H₁₂NO₇P₂*3H₂O*Na
• 分子量: 325.125
• InChiKey: DUYCFMAOEDAKDN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -5.73
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  165
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  alendronate sodium trihydrate 、 氯甲酸苄酯 在 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 生成 4-benzyloxycarbonylamino-1-hydroxybutylidene-1,1-bisphosphonic acid
  参考文献：
  名称：

  Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors

  摘要：

  该发明涉及酰氧甲基双膦酸酯、卤代双膦酸和羟基双膦酸，具有口服生物利用度，并且在治疗涉及钙或磷代谢紊乱的疾病中有用，特别是在治疗和预防涉及骨吸收的疾病方面，尤其是骨质疏松症、帕盖特病、恶性高钙血症和转移性骨病方面。

  公开号：

  US05227506A1
• 作为产物：
  描述：

  4-氨基丁酸 在 磷酸 、 三氯化磷 、 sodium hydroxide 、 水 作用下， 以 环丁砜 为溶剂， 反应 12.5h， 以55%的产率得到alendronate sodium trihydrate
  参考文献：
  名称：

  WO2007/10556

  摘要：

  公开号：

文献信息

• [EN] SOLID-STATE FORM OF ALENDRONATE SODIUM AND PREPARATION THEREOF<br/>[FR] FORME SOLIDE D'ALENDRONATE SODIQUE ET SA PREPARATION
  申请人：PLIVA ISTRAZIVACKI INST D O O

  公开号：WO2005035542A1

  公开（公告）日：2005-04-21

  A new solid-state form of alendronate sodium and process for its preparation are provided. The disclosure is also directed to pharmaceutical compositions containing the solid-state form, and to methods of treatment using the solid-state form.

  提供了一种阿伦膦酸钠的新固态形式及其制备过程。该公开还涉及含有该固态形式的制药组合物，以及使用该固态形式进行治疗的方法。
• WO2007/56417
  申请人：——

  公开号：——

  公开（公告）日：——
• Demoro, Bruno; Caruso, Francesco; Rossi, Miriam, Dalton Transactions, 2012, vol. 41, p. 6468 - 6476
  作者：Demoro, Bruno、Caruso, Francesco、Rossi, Miriam、Benitez, Diego、Gonzalez, Mercedes、et al.

  DOI：——

  日期：——
• Development of a 99mTc-labeled tetrazine for pretargeted SPECT imaging using an alendronic acid-based bone targeting model
  作者：Lennart Bohrmann、Christian B. M. Poulie、Cristina Rodríguez-Rodríguez、Stoyan Karagiozov、Katayoun Saatchi、Matthias M. Herth、Urs O. Häfeli

  DOI：10.1371/journal.pone.0300466

  日期：——

  Pretargeting, which is the separation of target accumulation and the administration of a secondary imaging agent into two sequential steps, offers the potential to improve image contrast and reduce radiation burden for nuclear imaging. In recent years, the tetrazine ligation has emerged as a promising approach to facilitate covalent pretargeted imaging due to its unprecedented kinetics and bioorthogonality. Pretargeted bone imaging with TCO-modified alendronic acid (Aln-TCO) is an attractive model that allows the evaluation of tetrazines in healthy animals without the need for complex disease models or targeting regimens. Recent structure-activity relationship studies of tetrazines evaluated important parameters for the design of potent tetrazine-radiotracers for pretargeted imaging. However, limited information is available for ^99mTc-labeled tetrazines. In this study, four tetrazines intended for labeling with fac-[^99mTc(OH₂)₃ (CO)₃]⁺ were synthesized and evaluated using an Aln-TCO mouse model. 3,6-bis(2-pyridyl)-1,2,4,5-Tz without additional linker showed higher pretargeted bone uptake and less background activity compared to the same scaffold with a PEG₈ linker or 3-phenyl-1,2,4,5-Tz-based compounds. Additionally, improved bone/blood ratios were observed in pretargeted animals compared to animals receiving directly labeled Aln-TCO. The results of this study implicate 3,6-bis(2-pyridyl)-1,2,4,5-Tz as a promising scaffold for potential ^99mTc-labeled tetrazines.
• CN115737837
  申请人：——

  公开号：——

  公开（公告）日：——