tetraethyl chloroacetylaminomethylidenediphosphonate | 95397-87-8

• 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: tetraethyl chloroacetylaminomethylidenediphosphonate
• 英文别名: N-[bis(diethoxyphosphoryl)methyl]-2-chloroacetamide
• CAS: 95397-87-8
• 化学式: C₁₁H₂₄ClNO₇P₂
• 分子量: 379.715
• InChiKey: VFTNKKBHMTUAFH-UHFFFAOYSA-N

物化性质

• 沸点：
  509.4±50.0 °C(Predicted)
• 密度：
  1.259±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  22
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tetraethyl chloroacetylaminomethylidenediphosphonate 在 四丁基氟化铵 、 potassium carbonate 、 sodium iodide 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 反应 25.0h， 生成 tetraethyl ((2-(bis(2-hydroxyethyl)amino)acetamido)methylene)-bis(phosphonate)
  参考文献：
  名称：

  [EN] BORTEZOMIB CONJUGATES AND METHODS USING SAME
  [FR] CONJUGUÉS DE BORTÉZOMIB ET LEURS MÉTHODES D'UTILISATION

  摘要：

  本发明提供了一种组合物和方法，用于提供可控的局部传递硼替佐米（Btz）和双膦酸盐的结合物，以促进骨形成。在某些实施方式中，该发明被用作治疗具有骨质流失特征的疾病和疾病的受试者。

  公开号：

  WO2017079262A1
• 作为产物：
  描述：

  tetraethyl (N,N-dibenzyl)aminomethyl-bis(phosphonate) 在 palladium on activated charcoal 氢气 、 sodium carbonate 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 24.0h， 生成 tetraethyl chloroacetylaminomethylidenediphosphonate
  参考文献：
  名称：

  A Bisphosphonate Monoamide Analogue of DOTA:  A Potential Agent for Bone Targeting

  摘要：

  A new macrocyclic DOTA-like ligand (BPAMD) for bone imaging and therapy containing a monoamide bis(phosphonic acid) bone-seeking group was designed and synthesized. Its lanthanide(ill) complexes were prepared and characterized by H-1 and P-31 INIMR spectroscopy. The Gd(III)-BPAMD complex was investigated in detail by H-1 and O-17 relaxometric studies to inspect parameters relevant for its potential application as an MRI contrast agent. Sorption experiments were conducted with Gd(Ill) and Tb(III) complexes using hydroxyapatite (HA) as a model of bone surface. Very effective uptake of the Gd-BPAMD complex by the HA surface was observed in NMR experiments. Radiochemical studies with the (Tb-160-BPAMD)-HA system proved the sorption to be remarkably fast and strong on one hand and fully reversible on the other hand. The strong (Gd-BPAMD)-HA interaction was also supported by H-1 NMRD measurements in the presence of a hydroxyapatite slurry, which showed an increase of the rotational correlation time upon adsorption of the complex on the HA surface, resulting in a significant relaxivity enhancement. The amide-bis(phosphonate) moiety is the only factor responsible for the binding of the complex to HA.

  DOI：

  10.1021/ja054905u

文献信息

• Bortezomib conjugates and methods using same
  申请人：Frank EBETINO et al.

  公开号：US11497813B2

  公开（公告）日：2022-11-15

  The present invention provides compositions and methods for providing controllable local delivery of a conjugate of bortezomib (Btz) and a bisphosphonate to promote bone formation. In certain embodiments, the invention is used as a treatment for a subject with diseases and disorders characterized by bone loss.

  本发明提供了硼替佐米（Btz）和双膦酸盐共轭物的可控局部给药组合物和方法，以促进骨形成。在某些实施方案中，本发明可用于治疗以骨丢失为特征的疾病和失调。
• US4579691A
  申请人：——

  公开号：US4579691A

  公开（公告）日：1986-04-01
• A Bisphosphonate Monoamide Analogue of DOTA:  A Potential Agent for Bone Targeting
  作者：Vojtěch Kubíček、Jakub Rudovský、Jan Kotek、Petr Hermann、Luce Vander Elst、Robert N. Muller、Zvonimir I. Kolar、Hubert Th. Wolterbeek、Joop A. Peters、Ivan Lukeš

  DOI：10.1021/ja054905u

  日期：2005.11.30

  A new macrocyclic DOTA-like ligand (BPAMD) for bone imaging and therapy containing a monoamide bis(phosphonic acid) bone-seeking group was designed and synthesized. Its lanthanide(ill) complexes were prepared and characterized by H-1 and P-31 INIMR spectroscopy. The Gd(III)-BPAMD complex was investigated in detail by H-1 and O-17 relaxometric studies to inspect parameters relevant for its potential application as an MRI contrast agent. Sorption experiments were conducted with Gd(Ill) and Tb(III) complexes using hydroxyapatite (HA) as a model of bone surface. Very effective uptake of the Gd-BPAMD complex by the HA surface was observed in NMR experiments. Radiochemical studies with the (Tb-160-BPAMD)-HA system proved the sorption to be remarkably fast and strong on one hand and fully reversible on the other hand. The strong (Gd-BPAMD)-HA interaction was also supported by H-1 NMRD measurements in the presence of a hydroxyapatite slurry, which showed an increase of the rotational correlation time upon adsorption of the complex on the HA surface, resulting in a significant relaxivity enhancement. The amide-bis(phosphonate) moiety is the only factor responsible for the binding of the complex to HA.
• [EN] BORTEZOMIB CONJUGATES AND METHODS USING SAME<br/>[FR] CONJUGUÉS DE BORTÉZOMIB ET LEURS MÉTHODES D'UTILISATION
  申请人：UNIV ROCHESTER

  公开号：WO2017079262A1

  公开（公告）日：2017-05-11

  The present invention provides compositions and methods for providing controllable local delivery of a conjugate of bortezomib (Btz) and a bisphosphonate to promote bone formation. In certain embodiments, the invention is used as a treatment for a subject with diseases and disorders characterized by bone loss.

  本发明提供了一种组合物和方法，用于提供可控的局部传递硼替佐米（Btz）和双膦酸盐的结合物，以促进骨形成。在某些实施方式中，该发明被用作治疗具有骨质流失特征的疾病和疾病的受试者。