2-[Bis[2-[carboxylatomethyl-[2-oxo-2-(tetradecylamino)ethyl]amino]ethyl]amino]acetate;gadolinium(3+) | 1018826-21-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[Bis[2-[carboxylatomethyl-[2-oxo-2-(tetradecylamino)ethyl]amino]ethyl]amino]acetate;gadolinium(3+)
• CAS: 1018826-21-5
• 化学式: C₄₂H₇₈GdN₅O₈
• 分子量: 938.36
• InChiKey: GIVQANJXANPEKF-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  2.78
• 重原子数：
  56
• 可旋转键数：
  39
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  188
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  gadolinium(III) chloride hexahydrate 、 2-[Bis[2-[carboxymethyl-[2-oxo-2-(tetradecylamino)ethyl]amino]ethyl]amino]acetic acid 以 吡啶 、 乙醇 、 水 为溶剂， 生成 2-[Bis[2-[carboxylatomethyl-[2-oxo-2-(tetradecylamino)ethyl]amino]ethyl]amino]acetate;gadolinium(3+)
  参考文献：
  名称：

  基于 [(Gd-DTPA)(H2O)]2− 的两亲性双（烷基酰胺）衍生物胶束掺入的潜在 MRI 造影剂

  摘要：

  合成了具有含 14、16 和 18 个碳原子的烷基链的 DTPA-双酰胺衍生物，并形成了各种三价镧系元素离子（Ln = Gd、La、Pr、Eu）的配合物。顺磁性镨 (III) 和铕 (III) 配合物的变温质子 NMR 光谱显示，长脂肪族取代基显着增加了镧系元素离子周围分子内重排的能量势垒。钆 (III) 配合物被掺入混合胶束中，光子相关光谱显示所有胶束的平均尺寸都在相同的范围内。掺入混合胶束的所有三种 DTPA-双酰胺-钆复合物的 NMRD 曲线显示出比市售 Gd-DTPA 造影剂更高的弛豫值。与胶束 DTPA-双酰胺-GdIII C18 链复合物相比，具有 C14 和 C16 链的胶束 DTPA-双酰胺-钆复合物获得更高的弛豫率可归因于包含 18 个碳原子的烷基链比烷基链长的事实胶束的主要成分 DPPC，它被插入其中。这将允许增加极头的移动性并因此降低弛豫。(© Wiley-VCH Verlag

  DOI：

  10.1002/ejic.200300117

文献信息

• FOCUSTED ULTRASOUND HYPERTHERMIA
  申请人：KING'S COLLEGE LONDON

  公开号：US20180178043A1

  公开（公告）日：2018-06-28

  The invention relates to a hyperthermia (focused ultrasound—FUS) method where an energy source is applied, repeatedly, to a desired part of the body to induce hyperthermia, e.g. using image guidance. Hyperthermia is applied after a drug or biopharmaceutical (API) and/or their labelled equivalents (theranostics) and/or their drug delivery systems has been administered to the live subject to cause the enhanced tissue distribution and/or controlled release of the drug, previously encapsulated in thermo-sensitive (lipid nano)particles, to a desired site of the body. Hyperthermia (Ultrasound) is then halted, and the site of interest. Hyperthermia is then applied again using image guidance to monitor drug's accumulation in the tissue. The drug and or the drug delivery system are also labelled (for imaging) to allow real time monitoring and modulation of the API in the human body which can be used to direct and guide the FUS at the site of interest.

  本发明涉及一种高温疗法（聚焦超声波-FUS）方法，在该方法中，能量源被反复应用于身体的所需部位，以诱导高温疗法，例如使用图像引导。在给活体主体注射药物或生物制品（API）和/或它们的标记等价物（治疗诊断）和/或它们的药物递送系统后，应用高温疗法，以导致药物之前包封在热敏（脂质纳米）颗粒中的增强组织分布和/或控制释放到身体的所需部位。然后停止高温疗法（超声波），并选择感兴趣的部位。然后再次使用图像引导应用高温疗法，以监测药物在组织中的积累。药物和/或药物递送系统也被标记（用于成像），以允许实时监测和调节人体中的API，可用于引导和指导在感兴趣的部位使用FUS。
• [EN] NANOPARTICLES<br/>[FR] NANOPARTICULES
  申请人：KING'S COLLEGE LONDON

  公开号：WO2016198862A1

  公开（公告）日：2016-12-15

  The invention provides a (drug-containing) lipid nanoparticle with: (i) at least one phospholipid; (ii) at least one lysolipid; and (iii) at least one phospholipid comprising a hydrophilic polymer;and (iv) at least one structural lipid of formula (I) which has the following general structure: (I) wherein R and R' are long hydrocarbyl hydrophobic chains, Y is a linker element, and PHG is a polar head group described as large according to its van der Waals radius, and which is different from the phospholipid (i). The lipid nanoparticle can release a drug (or API) from within the lipid nanoparticleas a result of focussed ultrasound (FUS) applied continuously, at least twice, to a desired part of the body to induce hyperthermia (an increase in temperature). FUS is applied after the lipid nanoparticle containing the drug has been administered to the live subject, and causes controlled release of the drug at the desired site of the body. Ultrasound is then halted, and the site of interest allowed to cool. Ultrasound is then applied again. Lipidnanoparticles can be labelled (for MRI, NIRF imaging),enablin greal time monitoring of the drug in the human body. Imaging information can be used to direct and guide the nature of the FUS applied to the site of interest.

  本发明提供了一种（含药物的）脂质纳米粒子，其包含：（i）至少一种磷脂；（ii）至少一种溶血磷脂；（iii）至少一种包含亲水性聚合物的磷脂；以及（iv）至少一种结构脂质，其具有以下一般结构式（I）：（I）其中R和R'是长的烃基疏水链，Y是连接元素，PHG是极性头基，根据其范德华半径描述为大，且不同于磷脂（i）。脂质纳米粒子可以通过聚焦超声（FUS）在体内所需部位连续施加至少两次，诱导体温升高（发热），从而释放药物（或API）从脂质纳米粒子内部释放。在给活体主体注入含药物的脂质纳米粒子后，施加FUS会导致药物在体内所需部位的受控释放。然后停止超声，让感兴趣的部位冷却。然后再次施加超声。脂质纳米粒子可以被标记（用于MRI、NIRF成像），从而实现对人体内药物的实时监测。成像信息可以用于指导和引导施加于感兴趣部位的FUS的性质。
• NANOPARTICLES
  申请人：King's College London

  公开号：EP3302434A1

  公开（公告）日：2018-04-11
• FOCUSED ULTRASOUND HYPERTHERMIA
  申请人：King's College London

  公开号：EP3302702A1

  公开（公告）日：2018-04-11
• [EN] FOCUSED ULTRASOUND HYPERTHERMIA<br/>[FR] HYPERTHERMIE PAR ULTRASONS FOCALISÉS
  申请人：KING'S COLLEGE LONDON

  公开号：WO2016198864A1

  公开（公告）日：2016-12-15

  The invention relates to a hyperthermia (focused ultrasound - FUS) method where an energy source is applied, repeatedly, to a desired part of the body to induce hyperthermia, e.g. using image guidance. Hyperthermia is applied after a drug or biopharmaceutical ( API) and/or their labelled equivalents (theranostics) and/or their drug delivery systems has been administered to the live subject to cause the enhanced tissue distribution and/ or controlled release of the drug, previously encapsulated in thermo-sensitive (lipid nano)particles, to a desired site of the body. Hyperthermia (Ultrasound) is then halted, and the site of interest. Hyperthermia is then applied again using image guidance to monitor drug's accumulation in the tissue. The drug and or the drug delivery system are also labelled (for imaging) to allow real time monitoring and modulation of the API in the human body which can be used to direct and guide the FUS at the site of interest.