[4-chloro-1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]butylidene]bis-phosphonic acid tetraethyl ester | 890848-00-7

• 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
• 英文名称: [4-chloro-1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]butylidene]bis-phosphonic acid tetraethyl ester
• 英文别名: 1-{[(tert-butyl)-1,1-dimethylsilyl]oxy}-4-chloro-1,1-di(diethoxyphosphoryl)-butane；Tert-butyl-[4-chloro-1,1-bis(diethoxyphosphoryl)butoxy]-dimethylsilane
• CAS: 890848-00-7
• 化学式: C₁₈H₄₁ClO₇P₂Si
• 分子量: 495.005
• InChiKey: KQKHRDWMYTZJJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.21
• 重原子数：
  29
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [4-chloro-1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]butylidene]bis-phosphonic acid tetraethyl ester 在 sodium azide 、 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 75.0h， 生成 [4-amino-1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]butylidene]bis-phosphonic acid tetraethyl ester
  参考文献：
  名称：

  [EN] SYNTHESIS AND APPLICATION OF MICROBUBBLE-FORMING COMPOUNDS
  [FR] SYNTHÈSE ET APPLICATION DE COMPOSÉS DE FORMATION DE MICROBULLES

  摘要：

  本公开涉及含有定向双磷酸酯基团的脂肪酸甘油酯衍生物化合物。该公开还包括包含这些化合物的制药或生物医学组合物，以及使用这些化合物和组合物形成微泡的方法。这些微泡具有亲和力，可针对金属含量，尤其是钙含量的物体和/或生物靶点。在某些实施例中，这些组合物对于在高频能量施加时提供能产生空化作用的微泡的定向放置非常有用。

  公开号：

  WO2016205820A1
• 作为产物：
  描述：

  4-Chloro-1,1-bis(diethoxyphosphoryl)butan-1-ol 、 叔丁基二甲基氯硅烷 以 二氯甲烷 为溶剂， 反应 15.0h， 以22.3 g的产率得到[4-chloro-1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]butylidene]bis-phosphonic acid tetraethyl ester
  参考文献：
  名称：

  Synthesis and Study of Alendronate Derivatives as Potential Prodrugs of Alendronate Sodium for the Treatment of Low Bone Density and Osteoporosis

  摘要：

  Alendronate derivatives were evaluated as potential prodrugs for the osteoporosis drug alendronate sodium in an attempt to enhance the systemic exposure after oral administration. An investigation of the chemical behavior of alendronate derivatives led to development of practical synthetic strategies and prediction of each structural class's prodrug potential. Pharmacokinetic studies of N-myristoylalendronic acid revealed that 25% have been converted in vivo after iv administration in rat, providing an important proof-of-concept for this strategy.

  DOI：

  10.1021/jm060398v

文献信息

• BISPHOSPHONIC ACID DERIVATIVE AND COMPOUND THEREOF LABELED WITH RADIOACTIVE METAL NUCLIDE
  申请人：Dozono Hiroyuki

  公开号：US20120148492A1

  公开（公告）日：2012-06-14

  Disclosed is a radioactive bone diagnostic agent which gives a high ratio of radioactivity accumulation in bone to that in blood from an early stage after administration of the agent and allows capturing an image in a short time after administration. Also disclosed is a bisphosphonic acid derivative represented by the following chemical formula (II) or a salt thereof, wherein X represents —(CH 2 ) m CO—, Y represents —(CH 2 ) n —, R represents H, OH, or a halogen atom, m and n are independent of each other and m represents an integer of 1 to 3, and n represents an integer of 0 to 4.

  揭示了一种放射性骨诊断剂，该剂在给药后的早期阶段使骨骼中的放射性积聚与血液中的放射性积聚比值高，并且允许在给药后短时间内捕获图像。还揭示了以下化学式（II）所代表的双膦酸衍生物或其盐，其中X代表—(CH2)mCO—，Y代表—(CH2)n—，R代表H、OH或卤素原子，m和n彼此独立，m代表1到3的整数，n代表0到4的整数。
• WO2024057277A1
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] SYNTHESIS AND APPLICATION OF MICROBUBBLE-FORMING COMPOUNDS<br/>[FR] SYNTHÈSE ET APPLICATION DE COMPOSÉS DE FORMATION DE MICROBULLES
  申请人：CALIFORINA INST OF TECH

  公开号：WO2016205820A1

  公开（公告）日：2016-12-22

  The present disclosure is directed to fatty-acid glycerol ester derivative compounds containing a targeting bisphosphonate group. The disclosure further include pharmaceutical or biomedical compositions comprising these compounds, and methods of using these compounds and compositions forming microbubbles. The microbubbles have affinity for metal-containing, especially calcium-containing, bodies and/or biological targets. In certain embodiments, these compositions are useful for providing targeted placement of microbubbles capable of cavitation on application of high frequency energy.

  本公开涉及含有定向双磷酸酯基团的脂肪酸甘油酯衍生物化合物。该公开还包括包含这些化合物的制药或生物医学组合物，以及使用这些化合物和组合物形成微泡的方法。这些微泡具有亲和力，可针对金属含量，尤其是钙含量的物体和/或生物靶点。在某些实施例中，这些组合物对于在高频能量施加时提供能产生空化作用的微泡的定向放置非常有用。
• Synthesis and Study of Alendronate Derivatives as Potential Prodrugs of Alendronate Sodium for the Treatment of Low Bone Density and Osteoporosis
  作者：Petr Vachal、Jeffrey J. Hale、Zhe Lu、Eric C. Streckfuss、Sander G. Mills、Malcolm MacCoss、Daniel H. Yin、Kimberly Algayer、Kimberly Manser、Filippos Kesisoglou、Soumojeet Ghosh、Laman L. Alani

  DOI：10.1021/jm060398v

  日期：2006.6.1

  Alendronate derivatives were evaluated as potential prodrugs for the osteoporosis drug alendronate sodium in an attempt to enhance the systemic exposure after oral administration. An investigation of the chemical behavior of alendronate derivatives led to development of practical synthetic strategies and prediction of each structural class's prodrug potential. Pharmacokinetic studies of N-myristoylalendronic acid revealed that 25% have been converted in vivo after iv administration in rat, providing an important proof-of-concept for this strategy.