Gallium citrate

• 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: Gallium citrate
• 英文别名: 5-Hydroxy-2,8,9-trioxa-1-gallabicyclo[3.3.2]decane-3,7,10-trione
• 化学式: C₆H₅O₇*Ga
• 分子量: 258.825
• InChiKey: YEEGWNXDUZONAA-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -5.63
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  141
• 氢给体数：
  1
• 氢受体数：
  7

ADMET

毒理性

• 在妊娠和哺乳期间的影响

◉ 母乳喂养期间使用总结：本记录中的信息是指将镓67柠檬酸盐用作诊断剂。几项国际指南建议在镓67柠檬酸盐使用后停止哺乳3到4周或完全停止哺乳。如果母亲希望恢复哺乳，在哺乳中断期间应定期且完全排空乳房。如果母亲在检查前已经挤出并保存了乳汁，她可以在哺乳中断期间喂给婴儿。母亲在哺乳中断期间挤出的乳汁可以丢弃，或者冷冻保存，在过了大约10个物理半衰期，即大约33天后，再喂给婴儿。 担心乳汁中放射性水平的母亲可以要求在医院核医学科进行检测。当放射性水平达到安全水平时，她可以恢复哺乳。已经发表了一种测量乳汁放射性并确定母亲可以安全恢复哺乳的时间的方法。接受少于190 MBq剂量进行炎症扫描的母亲无需避免与婴儿密切接触。 ◉ 对哺乳婴儿的影响：截至修订日期，未找到相关已发布信息。 ◉ 对泌乳和母乳的影响：截至修订日期，未找到相关已发布信息。

◉ Summary of Use during Lactation:Information in this record refers to the use of Ga 67 citrate as a diagnostic agent. Several international guidelines recommend discontinuation of breastfeeding for 3 to 4 weeks or complete cessation of breastfeeding after Ga 67 citrate. If the mother wishes to resume nursing, the breasts should be emptied regularly and completely during the period of interruption. If the mother has expressed and saved milk prior to the examination, she can feed it to the infant during the period of nursing interruption. The milk that is pumped by the mother during the time of breastfeeding interruption can either be discarded or stored frozen and given to the infant after 10 physical half-lives, or about 33 days, have elapsed. Mothers concerned about the level of radioactivity in their milk could ask to have it tested at a nuclear medicine facility at their hospital. When the radioactivity is at a safe level, she may resume breastfeeding. A method for measuring milk radioactivity and determining the time when a mother can safely resume breastfeeding has been published. Mothers who receive a dose less than 190 MBq for an inflammation scan need not refrain from close contact with their infants. ◉ Effects in Breastfed Infants:Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk:Relevant published information was not found as of the revision date.

来源:Drugs and Lactation Database (LactMed)

反应信息

• 作为反应物：
  描述：

  Gallium citrate 、 以 aq. acetate buffer 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Development of a novel, fibrin-specific PET tracer

  摘要：

  纤维蛋白沉积可见于多种疾病，如动脉粥样硬化、深静脉血栓以及肿瘤，它有助于成熟肿瘤基质的形成。本研究的目的是在纤维蛋白靶向肽 Epep 的基础上开发一种镓标记肽示踪剂，用于纤维蛋白沉积的 PET 成像。为此，用NOTA分子对多肽Epep进行了修饰，以便用67Ga和68Ga进行放射性标记，并与早期验证的111In-DOTA-Epep示踪剂进行了比较。67Ga-NOTA-Epep 的体外结合试验显示，与先前发表的 111In-DOTA-Epep 与人类（84.0 ± 0.6 vs 66.6 ± 1.4 %剂量）和小鼠衍生纤维蛋白凝块（83.5 ± 1.7 vs 74.2 ± 2.4 %剂量）结合的数据相比，67Ga-NOTA-Epep 的保留率有所提高。体内血液动力学显示了双相消除曲线（t1/2,α = 2.6 ± 1.0 分钟，t1/2,β = 15.8 ± 1.3 分钟），体内外生物分布显示注射后 4 小时血液值较低，非目标组织摄取量较低（<0.2 %ID/g；肾脏，1.9%ID/g）。总之，考虑到放射性标记的简易性以及体外和体内研究的良好前景，镓标记的 Epep 具有进一步发展成为纤维蛋白沉积 PET 示踪剂的潜力。

  DOI：

  10.1002/jlcr.3501

文献信息

• Development of a novel, fibrin-specific PET tracer
  作者：Tiemen R. van Mourik、Michael Claesener、Klaas Nicolay、Holger Grüll

  DOI：10.1002/jlcr.3501

  日期：2017.5.30

  Fibrin deposition is observed in several diseases such as atherosclerosis, deep vein thrombosis, and also tumors, where it contributes to the formation of mature tumor stroma. The aim of this study was to develop a gallium-labeled peptide tracer on the basis of the fibrin-targeting peptide Epep for PET imaging of fibrin deposition. For this purpose, the peptide Epep was modified with a NOTA moiety for radiolabeling with 67Ga and 68Ga and compared with the earlier validated 111In-DOTA-Epep tracer. In vitro binding assays of 67Ga-NOTA-Epep displayed an enhanced retention as compared to previously published data showing binding of 111In-DOTA-Epep to human (84.0 ± 0.6 vs 66.6 ± 1.4 %Dose) and mouse derived fibrin clots (83.5 ± 1.7 vs 74.2 ± 2.4% Dose). In vivo blood kinetics displayed a bi-phasic elimination profile (t1/2,α = 2.6 ± 1.0 minutes and t1/2,β = 15.8 ± 1.3 minutes) and ex vivo biodistribution showed low blood values at 4 hours post injection and a low uptake in nontarget tissue (<0.2 %ID/g; kidneys, 1.9%ID/g). In conclusion, taking into account the ease of radiolabeling and the promising in vitro and in vivo studies, gallium-labeled Epep displays the potential for further development towards a PET tracer for fibrin deposition.

  纤维蛋白沉积可见于多种疾病，如动脉粥样硬化、深静脉血栓以及肿瘤，它有助于成熟肿瘤基质的形成。本研究的目的是在纤维蛋白靶向肽 Epep 的基础上开发一种镓标记肽示踪剂，用于纤维蛋白沉积的 PET 成像。为此，用NOTA分子对多肽Epep进行了修饰，以便用67Ga和68Ga进行放射性标记，并与早期验证的111In-DOTA-Epep示踪剂进行了比较。67Ga-NOTA-Epep 的体外结合试验显示，与先前发表的 111In-DOTA-Epep 与人类（84.0 ± 0.6 vs 66.6 ± 1.4 %剂量）和小鼠衍生纤维蛋白凝块（83.5 ± 1.7 vs 74.2 ± 2.4 %剂量）结合的数据相比，67Ga-NOTA-Epep 的保留率有所提高。体内血液动力学显示了双相消除曲线（t1/2,α = 2.6 ± 1.0 分钟，t1/2,β = 15.8 ± 1.3 分钟），体内外生物分布显示注射后 4 小时血液值较低，非目标组织摄取量较低（<0.2 %ID/g；肾脏，1.9%ID/g）。总之，考虑到放射性标记的简易性以及体外和体内研究的良好前景，镓标记的 Epep 具有进一步发展成为纤维蛋白沉积 PET 示踪剂的潜力。