福地吡 | 118248-91-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 福地吡
• 中文别名: 精确分子量/精确质量：；油水分配系数/LogP：；极性分子表面积/PSA：；中文别名：；英文别名：；LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
• 英文名称: N,N'-bis(pyridoxal-5-phosphate)ethylenediamine-N,N'-diacetic acid
• 英文别名: N,N'-dipyridoxyethylenediamine-N,N'-diacetate 5,5'-bis(phosphate)；fodipir；DPDP；2-[2-[carboxymethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]ethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]acetic acid
• CAS: 118248-91-2
• 化学式: C₂₂H₃₂N₄O₁₄P₂
• 分子量: 638.462
• InChiKey: SQKUFYLUXROIFM-UHFFFAOYSA-N

物化性质

• 沸点：
  1049.1±75.0 °C(Predicted)
• 密度：
  1.657±0.06 g/cm3(Predicted)
• 溶解度：
  溶于二甲基亚砜

计算性质

• 辛醇/水分配系数(LogP)：
  -8.1
• 重原子数：
  42
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  281
• 氢给体数：
  8
• 氢受体数：
  18

制备方法与用途

生物活性

Fodipir 是 mangafodipir 的活性代谢物，能够通过阻止 7β-羟基胆固醇诱导的细胞凋亡，参与 mangafodipir 介导的细胞保护。

体外研究

在体外实验中，Fodipir（Dp-dp；二吡啶氧基二磷酸盐；100 μM）表现出最佳的细胞保护效果，能在 8 小时处理后有效对抗 7β-羟基胆固醇诱导的细胞死亡。此外，Fodipir 还能减少 7β-羟基胆固醇引起的活性氧（ROS）产生和溶酶体膜通透化（LMP）。

反应信息

• 作为反应物：
  描述：

  sodium hydroxide 、 calcium hydroxide 、 福地吡 、 水合锰 在 维生素 C 作用下， 以 水 为溶剂， 反应 17.0h， 以93%的产率得到calmangafodipir
  参考文献：
  名称：

  [EN] CALMANGAFODIPIR, A NEW CHEMICAL ENTITY, AND OTHER MIXED METAL COMPLEXES, METHODS OF PREPARATION, COMPOSITIONS, AND METHODS OF TREATMENT
  [FR] CALMANGAFODIPIR, NOUVELLE ENTITÉ CHIMIQUE, ET AUTRES COMPLEXES MÉTALLIQUES MIXTES, PROCÉDÉS DE PRÉPARATION, COMPOSITIONS ET PROCÉDÉS DE TRAITEMENT

  摘要：

  一种混合金属配合物，其由公式I的化合物或其盐组成，其中混合金属包括III-XII族过渡金属和II族金属：（公式I）（I）其中X，R1，R2，R3和R4如本文所定义，通过从III-XII族过渡金属，II族金属和公式I的化合物的溶液中进行一步结晶来制备。治疗患者的病理状况的方法，例如由氧衍生自由基存在引起的病理状况，包括向患者注射混合金属配合物。

  公开号：

  WO2013102806A1
• 作为试剂：
  描述：

  1,1-dibromo-3,3-dimethylbut-1-ene 在 bis(η3-allyl-μ-chloropalladium(II)) 、 sodium hydride 、 zinc(II) chloride 、 福地吡 作用下， 以 四氢呋喃 为溶剂， 反应 30.0h， 生成 dimethyl 2-(7,7-dimethyl-2,4,5-octatrienyl)-2-methylpropane-1,3-dioate
  参考文献：
  名称：

  Palladium-Catalyzed Preparation of Vinylallenes from 2-Bromo-1,3,5-trienes via an Alkylidene-π-allylpalladium-Mediated Formal S_N2‘ ‘ Pathway

  摘要：

  [GRAPHICS]A novel Pd-catalyzed reaction to prepare conjugated vinylallenes from 2-bromo-1,3,5-triene and a soft nucleophile via a formal S(N)2" pathway was developed. The reaction proceeds via alkylidene-d-allylpalladium and allenyl-d-allylpalladium intermediates, and a dynamic process involving the two palladium intermediates played important roles in determining the selectivity of the Pd-catalyzed reaction. The reaction was extended to an asymmetric counterpart, and an axially chiral vinylallene was obtained with up to 81% ee.

  DOI：

  10.1021/ol062309e

文献信息

• [EN] MANGANESE-BASED MAGNETIC RESONANCE CONTRAST AGENTS<br/>[FR] AGENTS DE CONTRASTE POUR RÉSONANCE MAGNÉTIQUE À BASE DE MANGANÈSE
  申请人：GEN HOSPITAL CORP

  公开号：WO2014107722A1

  公开（公告）日：2014-07-10

  Manganese coordination complexes with utility as magnetic resonance probes and as biological reductant sensors are disclosed. In one embodiment, ligands can stabilize both the Mn2+ and Mn3+ oxidation states. In the presence of a reductant such as glutathione, low relaxivity MnIII-HBET is rapidly converted to high relaxivity MnII-HBET with a 3-fold increase in relaxivity, and concomitant increase in magnetic resonance signal. In another embodiment, ligands were designed to chelate Mn(ll) in a thermodynamically stable and kinetically inert fashion while allowing for direct interaction of Mn(ll) with water. In yet another embodiment, high molecular weight multimers containing six Mn(ll) chelators were prepared. The high molecular weight results in slower tumbling of the molecules in solution and can strongly enhance the Mn(ll) relaxivity.

  锰配位络合物具有作为磁共振探针和生物还原剂传感器的实用性。在一个实施例中，配体可以稳定Mn2+和Mn3+的氧化态。在存在谷胱甘肽等还原剂的情况下，低弛豫率的MnIII-HBET会迅速转化为高弛豫率的MnII-HBET，其弛豫率增加了3倍，并伴随着磁共振信号的增加。在另一个实施例中，设计了配体以热力学稳定和动力学惰性的方式螯合Mn(ll)，同时允许Mn(ll)与水直接相互作用。在另一个实施例中，制备了含有六个Mn(ll)螯合剂的高分子量多聚体。高分子量导致溶液中分子的翻滚速度较慢，并且可以强烈增强Mn(ll)的弛豫率。
• [EN] NOVEL MANGANESE COMPRISING NANOSTRUCTURES<br/>[FR] NOUVELLES NANOSTRUCTURES COMPORTANT DU MANGANÈSE
  申请人：SPAGO IMAGING AB

  公开号：WO2013041623A1

  公开（公告）日：2013-03-28

  Disclosed herein are nanostructures comprising a polymeric framework comprising at least five geminal bisphosphonate groups, wherein the geminal bisphosphonate groups independently of each other are incorporated as - R3R4C(P=O(OR1)(OR2))2, wherein R1 and R2 are independently selected from the group consisting of a negative charge, H, alkyl and aryl, and wherein at least one of R3 and R4 is a group connected to the polymeric framework with the proviso that when only one of R3 and R4 is such a connected group, the other of R3 and R4 is either a group being able to connect to the polymeric framework, or the residue of such a group, or selected from the group consisting of H, OH, OR5 and R5, wherein R5 is a lower alkyl. The polymeric framework may comprise manganese ions. Disclosed are also methods for producing such manganese containing nanostructures, compositions comprising such manganese containing nanostructures and use of such manganese con¬ taining nanostructures, i.a. as MRI contrasting agents.

  本文披露了包含至少五个伽那双膦酸酯基团的聚合物框架的纳米结构，其中这些伽那双膦酸酯基团独立地被结合为-R3R4C(P=O(OR1)(OR2))2，其中R1和R2分别从阴离子、H、烷基和芳基组成的组中独立选择，且其中R3和R4中至少有一个是连接到聚合物框架的基团，但有一个限制条件，即当R3和R4中仅有一个是这样的连接基团时，另一个R3和R4要么是能够连接到聚合物框架的基团，要么是这种基团的残基，或者从H、OH、OR5和R5组成的组中选择，其中R5是较低的烷基。聚合物框架可能包括锰离子。还披露了制备含锰的纳米结构的方法，包含这种含锰纳米结构的组合物以及使用这种含锰纳米结构，例如作为MRI对比剂。
• Nanostructures comprising manganese
  申请人：Spago Imaging AB

  公开号：EP2572736A1

  公开（公告）日：2013-03-27

  Disclosed herein are nanostructures comprising manganese ions incorporated in a polymeric framework comprising at least five geminal bisphosphonate groups, wherein the geminal bisphosphonate groups independently of each other are incorporated as -R3R4C(P=O(OR2)(OR2))2, wherein R1 and R2 are independently selected from the group consisting of a negative charge, H, alkyl and aryl, and wherein at least one of R3 and R4 is a group connected to the polymeric framework with the proviso that when only one of R3 and R4 is such a connected group, the other of R3 and R4 is either a group being able to connect to the polymeric framework, or the residue of such a group, or selected from the group consisting of H, OH, OR5 and R5, wherein R5 is a lower alkyl. Disclosed are also methods for producing such nanostructures, compositions comprising such nanostructures and use of such nanostructures, i.a. as MRI contrasting agents.

  本文披露了一种包含锰离子的纳米结构，所述纳米结构包括至少五个伽那双膦酸酯基团的聚合物框架，其中这些伽那双膦酸酯基团独立地被结合为-R3R4C(P=O(OR2)(OR2))2，其中R1和R2分别选自负电荷、H、烷基和芳基组成的组，且R3和R4中至少一个是连接到聚合物框架的基团，但有一个例外，即当R3和R4中仅有一个是这样的连接基团时，另一个则是能够连接到聚合物框架的基团，或者是这样一个基团的残基，或者选自H、OH、OR5和R5组成的组，其中R5是较低的烷基。还披露了制备这种纳米结构的方法、包含这种纳米结构的组合物以及这种纳米结构的用途，例如作为磁共振成像对比剂。
• METHODS AND COMPOUNDS FOR ENHANCING CONTRAST IN MAGNETIC RESONANCE IMAGING (MRI)
  申请人：Brock University

  公开号：US20160362434A1

  公开（公告）日：2016-12-15

  The present application relates to methods and compounds for enhancing contrast in magnetic resonance imaging. The methods comprise administering compounds of Formula I(a) or I(b) to a subject and obtaining a magnetic resonance image of the subject. The present application also relates to methods of preparing compounds of the Formula I(a) as well as intermediate compounds used in such a method of preparation.

  本申请涉及增强磁共振成像对比度的方法和化合物。该方法包括向受试者注射I(a)或I(b)公式的化合物，并获取受试者的磁共振图像。本申请还涉及制备I(a)公式化合物的方法，以及用于此类制备方法的中间化合物。
• NOVEL MANGANESE COMPRISING NANOSTRUCTURES
  申请人：SPAGO IMAGING AB

  公开号：US20140350193A1

  公开（公告）日：2014-11-27

  Disclosed herein are nanostructures comprising a polymeric framework comprising at least five geminal bisphosphonate groups, wherein the geminal bisphosphonate groups independently of each other are incorporated as —R 3 R 4 C(P═O(OR 1 )(OR 2 )) 2 , wherein R 1 and R 2 are independently selected from the group consisting of a negative charge, H, alkyl and aryl, and wherein at least one of R 3 and R 4 is a group connected to the polymeric framework with the proviso that when only one of R 3 and R 4 is such a connected group, the other of R 3 and R 4 is either a group being able to connect to the polymeric framework, or the residue of such a group, or selected from the group consisting of H, OH, OR 5 and R 5 , wherein R 5 is a lower alkyl. The polymeric framework may comprise manganese ions. Disclosed are also methods for producing such manganese containing nanostructures, compositions comprising such manganese containing nanostructures and use of such manganese containing nanostructures, i.a. as MRI contrasting agents.

  本文披露了一种纳米结构，包括至少五个双磷酸酯基团的聚合物框架，其中双磷酸酯基团独立地作为-R3R4C（P═O（OR1）（OR2））2并入，其中R1和R2分别选择自阴离子、H、烷基和芳基的群组，而且R3和R4中至少有一个是连接到聚合物框架的群组，但是当R3和R4中仅有一个是这样的连接群组时，另一个则为能够连接到聚合物框架的群组，或是这样的群组的残基，或选择自H、OH、OR5和R5的群组，其中R5是较低的烷基。聚合物框架可以包括锰离子。此外，本文还披露了制备这种含锰纳米结构的方法，包含这种含锰纳米结构的组合物以及使用这种含锰纳米结构的方法，例如作为MRI对比剂。