Gadolinium;2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid | 72573-82-1

• 物质功能分类: 医药中间体 - 原料药中间体
• 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: Gadolinium;2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• 英文别名: gadolinium;2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• CAS: 72573-82-1
• 化学式: C16H28GdN4O8
• 分子量: 561.7
• InChiKey: KIPXHMTXCBHELI-UHFFFAOYSA-N

物化性质

• 熔点：
  >300°C
• 溶解度：
  可微溶于水

计算性质

• 辛醇/水分配系数(LogP)：
  -2.45
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  162
• 氢给体数：
  4
• 氢受体数：
  12

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

文献信息

• TARGETED CONTRAST AGENTS FOR MRI OF ALPHA-SYNUCLEIN DEPOSITION
  申请人：Texas Children's Hospital

  公开号：US20210252170A1

  公开（公告）日：2021-08-19

  A liposomal composition (“ADx-003”) is provided, ADx-003 comprising a first phospholipid; a sterically bulky excipient that is capable of stabilizing the liposomal composition; a second phospholipid that is derivatized with a first polymer; a macrocyclic gadolinium-based imaging agent; and a third phospholipid that is derivatized with a second polymer, the second polymer being conjugated to a targeting ligand, the targeting ligand being represented by Formula I: wherein X is —CH 2 —, —CH 2 —CH 2 —, —CHO—, or —O—CO—; Y is —CH—CH═CH— or A and B are independently selected from C and N; R 1 , R 2 , R 3 , and R 4 are independently selected from —H, halogen, —OH, and —CH 3 ; and R 5 , R 6 , and R 7 are independently selected from —H, halogen, —OH, —OCH 3 , —NO 2 , —N(CH 3 ) 2 , C 1 -C 6 alkyl, or a substituted or unsubstituted C 4 -C 6 aryl group, except that when A and/or B is N the adjacent R 5 and/or R 7 is —H, or a pharmaceutically acceptable salt thereof.

  提供了一种脂质体组合物（“ADx-003”），ADx-003包括第一磷脂；一种能够稳定脂质体组合物的立体位阻剂；第二磷脂，其与第一聚合物衍生化；一种基于 macrocyclic 钆的成像剂；以及第三磷脂，其与第二聚合物衍生化，第二聚合物与靶向配体共轭，靶向配体由以下式表示：其中X为—CH2—、—CH2—CH2—、—CHO—或—O—CO—；Y为—CH—CH═CH—或A和B分别选择自C和N；R1、R2、R3和R4分别选择自—H、卤素、—OH和—CH3；R5、R6和R7分别选择自—H、卤素、—OH、—OCH3、—NO2、—N(CH3)2、C1-C6烷基，或取代或未取代的C4-C6芳基，但当A和/或B为N时，相邻的R5和/或R7为—H，或其药用盐。
• MOLECULAR DESIGN TOWARD DUAL-MODALITY PROBES FOR RADIOISOTOPE-BASED IMAGING (PET OR SPECT) AND MRI
  申请人：Board of Regents, The University of Texas System

  公开号：US20140363376A1

  公开（公告）日：2014-12-11

  In some aspects, the present invention provides novel ligands, which may be used to make novel dual-modality imaging agents, for example, for PET and MRI imaging. In further aspects, by the present disclosure also provides methods of use and methods of preparation of the novel ligands, metal complexes, and imaging agents thereof.

  在某些方面，本发明提供了新型配体，可以用于制备新型双模态成像剂，例如PET和MRI成像。此外，根据本公开还提供了使用新型配体、金属配合物和成像剂的制备方法。
• 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。
• Verfahren und Vorrichtung zur Herstellung eines Kontrastmediums aus einem Konzentrat
  申请人：SCHERING AKTIENGESELLSCHAFT

  公开号：EP0576740A1

  公开（公告）日：1994-01-05

  Verfahren zur Herstellung eines Kontrastmittels aus einem Kontrastmittelkonzentrat in einer Menge von 350 - 450 J/ml oder 0,5 - 4 mol Kontrastmittelverbindung/Liter in einem Behälter von 0,1 - 100 Liter durch Vermischen mit einer wäßrigen Lösung.

  用造影剂浓缩液制备造影剂的工艺，造影剂浓缩液的用量为 350-450 焦耳/毫升或 0.5-4 摩尔造影剂化合物/升，在 0.1-100 升的容器中与水溶液混合。