11C-氯化胆碱 | 87591-54-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 11C-氯化胆碱
• 英文名称: [N-methyl-11C]choline chloride
• 英文别名: Choline chloride C-11；2-hydroxyethyl-dimethyl-(111C)methylazanium;chloride
• CAS: 87591-54-6
• 化学式: C₅H₁₄NO*Cl
• 分子量: 138.614
• InChiKey: SGMZJAMFUVOLNK-ULWFUOSBSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.31
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

ADMET

代谢

胆碱C11通过胆碱激酶磷酸化，并融入体内的磷脂中。在某些组织中，胆碱的氧化作用非常显著。胆碱的氧化代谢物是甜菜碱，这是胆碱C11的主要代谢物。给药后40分钟，小部分给药剂量保持不变。

Choline C11 is phosphorylated by choline kinase and incorporated into phospholipids in the body. In some of the tissues, choline oxidation is prominent. The oxidative metabolite of choline is betaine which is the major metabolite of choline C11. A small portion of the administered dose remains unchanged 40 minutes after administration.

来源:DrugBank

吸收、分配和排泄

• 吸收

最高的正常组织摄取见于肾皮质、肝脏、胰腺和唾液腺。它表现出肠、前列腺和垂体摄取的变异性，以及大脑皮层摄取较低。氯化胆碱C11的半衰期较短，限制了其可用性，建议在产生回旋加速器的2-3个半衰期内交付。

The highest normal tissue uptake is seen in renal cortex, liver, pancreas and salivary glands. It presents a variable bowel, prostate and pituitary uptake and a low uptake in the cerebral cortex. The short half-life of choline C11 limits the availability and it is recommended to be delivered within 2-3 half-lives from producing cyclotron.

来源:DrugBank

吸收、分配和排泄

• 消除途径

胆碱11的尿液排泄量极小，它代表注射放射性活性的小于2%。静脉给药后，胆碱C11会迅速从循环中清除（<3分钟），肝脏和肾脏具有高清除率。胆碱的氧化代谢物，名为甜菜碱，会通过尿液排出。

Choline 11 presents a minimal urinary excretion and it represents <2% of the injected radioactivity. After intravenous administration, choline C11 gets rapidly cleared from the circulation (<3 min) with a high clearance by liver and kidneys. The oxidation metabolite of choline, named betaine, is excreted into the urine.

来源:DrugBank

吸收、分配和排泄

• 清除

静脉注射后，胆碱C11迅速从血液中清除。胆碱C11的清除率为0.014毫升/分钟。

After intravenous injection, choline C11 is rapidly cleared from the bloodstream. The clearance rate of choline C11 is or 0.014 ml/min.

来源:DrugBank

反应信息

• 作为产物：
  描述：

  N,N-二甲基乙醇胺 、 [11C]methyl iodide 在 sodium chloride 作用下， 以 水 为溶剂， 生成 11C-氯化胆碱
  参考文献：
  名称：

  [N-Methyl-11C]choline by on-column reaction: a study on [11C]CH3I incorporation and the residual amount of precursor in the product

  摘要：

  [N-甲基-11C]胆碱已经在室温下通过[11C]CH3I与2-二甲基氨基乙醇（DMAE）的反应合成，后者直接装载在弱阳离子交换柱上。大多数努力都旨在减少最终产物溶液中残留的前体量，以使这种示踪剂更适合脑部研究。在这个过程中，放射化学产率和残留DMAE与起始前体量和使用的冲洗条件有关，并与“传统”方法——将前体装载在C18柱或环上进行了比较。关于最方便的分析技术和条件，特别是针对前体的定量分析，也有相关评论和指点。在我们认为公平的妥协下，[11C]CH3I的掺入产率约为90%，残留的起始物料量在8至12ppm范围内。版权所有 © 2010 John Wiley & Sons, Ltd.

  DOI：

  10.1002/jlcr.1838

文献信息

• [N-Methyl-11C]choline by on-column reaction: a study on [11C]CH3I incorporation and the residual amount of precursor in the product
  作者：A. Bogni、O. Crispu、L. Fugazza、C. Cucchi、L. Laera、R. Iwata、F. Crippa、E. Bombardieri、C. Pascali

  DOI：10.1002/jlcr.1838

  日期：2011.3

  [N-Methyl-11C]choline has been synthesized at room temperature by the reaction of [11C]CH3I with 2-dimethylaminoethanol (DMAE), with the latter directly loaded on a weak cation-exchange cartridge. Most of the efforts have been directed to reduce the amount of residual precursor in the product's final solution in order to make this tracer more suitable to brain studies. In the process, radiochemical yields and residual DMAE have been placed in relation with both the starting amount of precursor and the rinsing conditions used and compared with the more ‘traditional’ loading of the precursor on either a C18 cartridge or a loop. Comments and indications on the most convenient analytical technique and conditions for quantitative analysis, with particular emphasis on the precursor, are also reported. Under what we believe to be a fair compromise, [11C]CH3I incorporation yields of ca. 90% were easily achieved with a residual amount of starting material in the 8- to 12-ppm range. Copyright © 2010 John Wiley & Sons, Ltd.

  [N-甲基-11C]胆碱已经在室温下通过[11C]CH3I与2-二甲基氨基乙醇（DMAE）的反应合成，后者直接装载在弱阳离子交换柱上。大多数努力都旨在减少最终产物溶液中残留的前体量，以使这种示踪剂更适合脑部研究。在这个过程中，放射化学产率和残留DMAE与起始前体量和使用的冲洗条件有关，并与“传统”方法——将前体装载在C18柱或环上进行了比较。关于最方便的分析技术和条件，特别是针对前体的定量分析，也有相关评论和指点。在我们认为公平的妥协下，[11C]CH3I的掺入产率约为90%，残留的起始物料量在8至12ppm范围内。版权所有 © 2010 John Wiley & Sons, Ltd.