iodine-131 | 15124-39-7

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 均相卤素
• 英文名称: iodine-131
• 英文别名: Iodine I-131
• CAS: 15124-39-7
• 化学式: I₂
• 分子量: 262.0
• InChiKey: PNDPGZBMCMUPRI-HVTJNCQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

ADMET

代谢

碘可以通过摄入、吸入或皮肤接触进入人体。在人体内，碘和碘化物会在甲状腺中积累，用于产生甲状腺激素T4和T3。甲状腺中的碘化物会与蛋白质甲状腺球蛋白结合，形成与酪氨酸残基的共价复合物。甲状腺球蛋白的碘化由酶甲状腺过氧化物酶催化。碘化反应发生在甲状腺滤泡细胞-腔界面上，包括碘化物的氧化形成反应中间体，甲状腺球蛋白中单碘酪氨酸和二碘酪氨酸残基的形成，以及碘化酪氨酸残基的耦合形成T4（两个二碘酪氨酸残基的耦合）或T3（一个单碘酪氨酸和一个二碘酪氨酸残基的耦合）。 甲状腺外碘的主要代谢途径涉及T4和T3的分解代谢，包括脱碘反应、甲状腺氨酸醚键的断裂、甲状腺氨酸侧链的氧化脱氨和脱羧，以及甲状腺氨酸上酚羟基与葡萄糖醛酸和硫酸的共轭。吸收的碘主要通过尿液和粪便排出，但也会通过乳汁、呼出气体、汗液和眼泪排出。

Iodine can enter the body following ingestion, inhalaiton, or dermal exposure. In the body, iodine and iodide accumulates in the thyroid gland, where it is used for producing the thyroid hormones T4 and T3. Iodide in the thyroid gland is incorporated into a protein, thyroglobulin, as covalent complexes with tyrosine residues. The iodination of thyroglobulin is catalyzed by the enzyme thyroid peroxidase. The iodination reactions occur at the follicular cell-lumen interface and consist of the oxidation of iodide to form a reactive intermediate, the formation of monoiodotyrosine and diiodotyrosine residues in thyroglobulin, and the coupling of theiodinated tyrosine residues to form T4 (coupling of two diiodotyrosine residues) or T3 (coupling of a monoiodotyrosine and diiodotyrosine residue) in thyroglobulin. The major pathways of metabolism of iodine that occur outside of the thyroid gland involve the catabolism of T4 and T3, and include deiodination reactions, ether bond cleavage of thyronine, oxidative deamination and decarboxylation of the side chain of thyronine, and conjugation of the phenolic hydroxyl group on thyronine with glucuronic acid and sulfate. Absorbed iodine is excreted primarily in the urine and feces, but is also excreted in breast milk, exhaled air, sweat, and tears. (L1844)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

碘化物抑制甲状腺滤泡细胞中的腺苷酸环化酶，并减少TSH诱导的细胞内cAMP的升高。这导致甲状腺球蛋白的碘化减少，抑制T4和T3的生产和释放，从而引起甲状腺功能减退。放射性碘产生的电离辐射导致细胞损伤，包括DNA断裂、准确或不准确的修复、凋亡、基因突变、染色体改变和遗传不稳定。这导致正常细胞和组织的稳态丧失，以及恶性肿瘤的发展。不直接损伤DNA的电离辐射可以产生反应性氧中间体，这些中间体直接影响细胞周期调节中重要的酶p53的稳定性，并通过对DNA中单个碱基的氧化损伤以及在DNA复制过程中错配导致点突变。(L1837, L1841, L1844)

Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism. The ionizing radiation produced by radioiodine causes cellular damage that includes DNA breakage, accurate or inaccurate repair, apoptosis, gene mutations, chromosomal change, and genetic instability. This leads to loss of normal cell and tissue homeostasis, and development of malignancy. Ionizing radiation that does not directly damage DNA can produce reactive oxygen intermediates that directly affect the stability of p53, an important enzyme in cell-cycle regulation, and produce oxidative damage to individual bases in DNA and point mutations by mispairing during DNA replication. (L1837, L1841, L1844)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

1, 对人类致癌。

1, carcinogenic to humans. (L135)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

暴露在高水平的非放射性碘和放射性碘可以损害甲状腺。甲状腺的损害可能会导致身体其他部位出现问题，比如皮肤、肺和生殖器官。浓缩的碘非常腐蚀性，如果吞咽可能会损害粘膜。放射性碘还可能引起癌症，尤其是甲状腺癌，因为它倾向于在甲状腺中积聚。

Exposure to high levels of nonradioactive and radioactive iodine can damage the thyroid. Damage to the thyroid gland can result in effects in other parts of your body, such as your skin, lung, and reproductive organs. Concentrated iodine is very corrosive and can damage the mucous membrane if swallowed. Radioactive iodine can also cause cancer, especially of the thyroid, where it tends to concentrate. (L1844, L1846, L1848)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 在妊娠和哺乳期间的影响

◈ 什么是碘-131？ 碘-131（也称为I-131）是碘的一种放射性同位素。放射性同位素会释放辐射。碘-131会在甲状腺中浓缩，用于医疗诊断程序，治疗甲状腺癌，以及移除患有甲亢（一种身体产生过多甲状腺激素的状况）的人的甲状腺。 ◈ 我接受了碘-131治疗，现在我想怀孕。这种药物在我体内会停留多久？ 人们消除药物的速度不同。在健康的成年人中，平均需要多达48天，大部分碘-131才会从体内消失。接受碘-131治疗也会导致短期的生育能力变化。建议在接受碘-131治疗后推迟6到12个月再怀孕，以便放射性同位素有时间离开身体，并允许甲状腺激素稳定下来。 ◈ 接受碘-131治疗是否会增加未来怀孕流产的几率？ 流产是常见的，可能由于多种原因在任何怀孕中发生。一项研究报告指出，在接触碘-131后的12个月内怀孕，流产的几率更高。一篇综述文章没有发现在怀孕前接受碘-131治疗会增加流产的几率。 ◈ 接受碘-131治疗是否会增加胎儿有出生缺陷的几率？ 每次怀孕开始时，有3-5%的几率出现出生缺陷。这被称为背景风险。大多数关于怀孕前接受碘-131治疗的人的报告中，没有发现出生缺陷的几率增加。在可能的情况下，孕期会避免使用碘-131。发育中的胎儿在大约怀孕10周时开始吸收放射性碘到他们的甲状腺，这可能导致严重的甲状腺损伤和甲状腺激素缺乏。甲状腺激素对宝宝的发展非常重要。 ◈ 碘-131是否会导致其他怀孕并发症？ 大多数研究表明，如果在怀孕前接受碘-131治疗，不会增加怀孕并发症的几率。在可能的情况下，孕期会避免使用碘-131。 ◈ 怀孕期间接受碘-131治疗是否会导致宝宝在行为或学习上有长期问题？ 根据现有的数据，尚不清楚医疗碘-131测试和治疗是否直接导致行为或学习问题。在可能的情况下，孕期会避免使用碘-131，因为碘-131可能会影响宝宝的甲状腺和甲状腺激素水平。甲状腺激素过少的宝宝有发育迟缓的风险增加。 ◈ 接受碘-131治疗时我可以哺乳吗？ 如果给予碘-131治疗，建议停止哺乳。碘-131会在乳房中浓缩，可能导致乳汁中含有大量碘-131。通过乳汁暴露于碘-131的哺乳儿童可能会发展出甲状腺问题，如甲状腺功能减退、甲状腺损伤和甲状腺癌风险增加。在可能的情况下，碘-131治疗和测试应等到宝宝断奶后再进行。在某些情况下，如果只使用了少量放射性碘，当放射性计数返回到基线水平时，可以重新开始哺乳。这可能需要几周时间。请务必与您的医疗保健提供者讨论所有关于哺乳的问题。 ◈ 我接受了碘-131治疗。这会让我更难让伴侣怀孕或增加出生缺陷的几率吗？ 接受碘-131治疗可能会导致男性和女性短期的生育能力变化。在父亲接受碘-131治疗的情况下，没有发现孩子的先天性畸形增加。通常，父亲或精子捐赠者的暴露不太可能增加怀孕的风险。更多信息，请参阅MotherToBaby关于父亲暴露的小册子，网址为https://mothertobaby.org/fact-sheets/paternal-exposures-pregnancy/。

◈ What is iodine-131? Iodine-131 (also known as I-131) is a radioisotope of iodine. Radioisotopes release radiation. Iodine-131 concentrates in the thyroid, and is used in medical diagnostic procedures, to treat thyroid cancer, and to remove the thyroid in people with hyperthyroidism (a condition in which the body makes too much thyroid hormone). ◈ I received iodine-131 and now I would like to get pregnant. How long does the drug stay in my body? People eliminate medications at different rates. In healthy adults, it takes up to 48 days, on average, for most of the iodine-131 to be gone from the body. Receiving iodine-131 can also cause short term changes in fertility. It has been suggested to postpone pregnancy for 6 to 12 months after receiving iodine-131, to give the radioisotope time to leave the body and to allow the thyroid hormones to stabilize. ◈ Does receiving iodine-131 increase the chance for miscarriage in future pregnancies? Miscarriage is common and can occur in any pregnancy for many different reasons. One study reported a higher chance for miscarriage in pregnancies that were conceived during the 12 months after exposure to iodine-131. A review article did not find a higher chance for miscarriage when iodine-131 was received before pregnancy. ◈ Does receiving iodine-131 increase the chance of having a baby with a birth defect? Every pregnancy starts out with a 3-5% chance of having a birth defect. This is called the background risk. Most reports on people who received iodine-131 prior to a pregnancy showed no increase in the chance for birth defects.Iodine-131 is avoided during pregnancy when possible. The developing baby can absorb radioactive iodine into their thyroid starting at about 10 weeks of pregnancy, and this can result in severe thyroid gland damage and thyroid hormone deficiency. Thyroid hormone is very important for the baby’s development. ◈ Could iodine-131 cause other pregnancy complications? Most studies do not show an increase in pregnancy complications if the iodine-131 is received prior to the pregnancy. Use of iodine-131 during pregnancy is avoided when possible. ◈ Does taking iodine-131 in pregnancy cause long-term problems in behavior or learning for the baby? Based on the data available, it is not known if medical iodine-131 tests and treatments would directly cause behavior or learning issues. Iodine-131 is avoided during pregnancy when possible because iodine-131 can affect the baby’s thyroid and thyroid hormone levels. Babies with too little thyroid hormone have an increased risk for developmental delays. ◈ Can I breastfeed while taking iodine-131? It has been recommended that breastfeeding be stopped if iodine-131 is given. Iodine-131 is concentrated in the breasts which could result in significant amounts in breastmilk. A breastfeeding child who is exposed to iodine-131 through milk could develop thyroid problems such as poor thyroid function, damage to the thyroid gland, and an increased chance for thyroid carcinoma. When possible, iodine-131 treatments and tests should wait until after the baby is weaned. In some cases where only small amounts of radioiodine are used, breastfeeding can be restarted when radioactivity counts return base level. This may be several weeks. Be sure to talk to your healthcare providers about all your breastfeeding questions. ◈ I received iodine-131. Can it make it harder for me to get my partner pregnant or increase the chance of birth defects? Receiving iodine-131 can cause short term changes in fertility in men and women. No increase of congenital malformations has been found in children whose fathers who were treated with iodine-131. In general, exposures that fathers or sperm donors have are unlikely to increase the risks to a pregnancy. For more information, please see the MotherToBaby fact sheet Paternal Exposures at https://mothertobaby.org/fact-sheets/paternal-exposures-pregnancy/.

来源:Mother To Baby Fact Sheets

毒理性

• 暴露途径

口服（L1844）；吸入（L1844）；皮肤给药（L1844）

Oral (L1844) ; Inhalation (L1844) ; Dermal (L1844)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为反应物：
  描述：

  iodine-131 、 三氟碘甲烷 以 neat (no solvent) 为溶剂， 生成 trifluoro(iodo-¹³¹I)methane
  参考文献：
  名称：

  Thermal and photochemical exchange of iodine with trifluoro-methyl iodide

  摘要：

  在 100 至 180°C 的气相中研究了 I2 和 CF3I 之间的热和光化学交换反应。均相热和光化学反应由 I 原子引发，交换通过提取 I+CF3I→CF3+I2(1) 进行，然后是 CF3+I2→CF3I+I。速率常数 k1 由 109.6 exp(– 16000/RT) l 给出。摩尔–1秒–1。根据 (1) 的活化能，D(CF3–I) 为 51.5 ± 0.5 kcalmol–1。旋转扇形测量得出 I 原子复合的表观二阶速率常数值，在 CF3I 存在下，I+I+M →I2+M 为 5.1 ± 2.0 × 107 l。 100°C 时摩尔–1 秒–1。

  DOI：

  10.1039/tf9676301155
• 作为产物：
  描述：

  水 、 cesium iodide 在 air 作用下， 以 neat (no solvent) 为溶剂， 生成 cesium hydroxide 、 iodine-131
  参考文献：
  名称：

  Oxidative hydrolysis of CsI radioaerosols localized on TRUMEM metallic membrane filter

  摘要：

  Oxidative hydrolysis of (CsI)-Cs-137-I-131 aerosols localized on TRUMEM metallic membrane filter under the action of air-water vapor medium was studied. It was shown that, at a temperature of air flow of 403-423 K, water vapor content from similar to 3-4 to 90 vol%), and flow velocity from similar to 2 to similar to 9 cm s(-1) the (CsI)-Cs-137-I-131 aerosols localized on TRUMEM metallic membrane filter undergo oxidative hydrolysis. In sublimation of 0.3 to 0.8 mg of CsI, the degree of conversion of CsI radioaerosols into oxidative hydrolysis products varies from 0 to approximately 17%.

  DOI：

  10.1134/s1066362208040127
• 作为试剂：
  描述：

  在 copper(I) oxide 、 1,10-菲罗啉 、 iodine-131 作用下， 以 乙腈 为溶剂， 反应 1.0h， 生成 (2,5-dioxopyrrolidin-1-yl) 4-(4-(131I)iodanylphenyl)butanoate
  参考文献：
  名称：

  一种干扰素刺激蛋白靶向化合物、其放射性标记物、及它们的制备方法与应用

  摘要：

  本发明提供一类二聚的酰胺基苯并咪唑化合物，其结构如下式(I)所示；其中，R0为n取0‑5的整数。本发明还提供基于所述二聚的酰胺基苯并咪唑化合物的一类具有抗肿瘤活性的化合物和一类干扰素刺激蛋白靶向的放射性核素标记化合物。本发明所述二聚的酰胺基苯并咪唑化合物对干扰素刺激蛋白具有高亲和力和高特异性，本发明所述的具有抗肿瘤活性的化合物在体外具有激活STING通路的特性，本发明所述的放射性核素标记化合物不仅靶与非靶摄取对比明显，而且可通过引入不同性质的核素改变脂溶性，极大地拓宽了应用场景，可以跟治疗核素联用进行肿瘤治疗，甚至可用于免疫治疗。

  公开号：

  CN112920172B

文献信息

• Phospholipid ether analogs as cancer treatment agents and methods thereof
  申请人：Weichert Jamey

  公开号：US20070020178A1

  公开（公告）日：2007-01-25

  The present invention provides methods for treating, detecting and locating recurrence of cancer, radiation and chemo insensitive cancer or metastasis of cancer selected from the group consisting of Lung cancer, Adrenal cancer, Melanoma, Colon cancer, Colorectal cancer, Ovarian cancer, Prostate cancer, Liver cancer, Subcutaneous cancer, Squamous cell cancer, Intestinal cancer, Hepatocellular carcinoma, Retinoblastoma, Cervical cancer, Glioma, Breast cancer and Pancreatic cancer in subject using phospholipid ether analogs.

  本发明提供了使用磷脂醚类似物治疗、检测和定位肺癌、肾上腺癌、黑色素瘤、结肠癌、结直肠癌、卵巢癌、前列腺癌、肝癌、皮下癌、鳞状细胞癌、肠癌、肝细胞癌、视网膜母细胞瘤、宫颈癌、胶质瘤、乳腺癌和胰腺癌等不敏感于放疗和化疗的癌症或癌症转移的方法，用于患者。
• NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN
  申请人：Besidski Yevgeni

  公开号：US20100137322A1

  公开（公告）日：2010-06-03

  The present invention relates to new compounds of formula (I) and to pharmaceutical composition containing said compounds and to the use of said compounds in therapy. The present invention further relates to processes for the preparation of said compounds and to new intermediates useful in the preparation thereof.

  本发明涉及式(I)的新化合物，以及包含该化合物的制药组合物和该化合物在治疗中的应用。本发明还涉及制备该化合物的过程以及在制备过程中有用的新中间体。
• N-(8-heteroaryltetrahydronaphtalene-2yl) or N-(5-heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain
  申请人：AstraZeneca AB

  公开号：US08143408B2

  公开（公告）日：2012-03-27

  The present invention relates to new compounds of formula (I) and to pharmaceutical composition containing said compounds and to the use of said compounds in therapy. The present invention further relates to processes for the preparation of said compounds and to new intermediates useful in the preparation thereof.

  本发明涉及公式（I）的新化合物，以及含有该化合物的制药组合物和该化合物在治疗中的应用。本发明还涉及制备该化合物的过程以及在制备过程中有用的新中间体。
• PHOSPHOLIPID ETHER ANALOGS AS AGENTS FOR DETECTING AND LOCATING CANCER, AND METHODS THEREOF
  申请人：Cellectar, Inc.

  公开号：US20140030187A1

  公开（公告）日：2014-01-30

  The present invention provides methods for treating, detecting and locating recurrence of cancer, radiation and chemo insensitive cancer or metastasis of cancer selected from the group consisting of Lung cancer, Adrenal cancer, Melanoma, Colon cancer, Colorectal cancer, Ovarian cancer, Prostate cancer, Liver cancer, Subcutaneous cancer, Squamous cell cancer, Intestinal cancer, Hepatocellular carcinoma, Retinoblastoma, Cervical cancer, Glioma, Breast cancer and Pancreatic cancer in subject using phospholipid ether analogs.

  本发明提供了使用磷脂醚类似物治疗、检测和定位肺癌、肾上腺癌、黑色素瘤、结肠癌、结直肠癌、卵巢癌、前列腺癌、肝癌、皮下癌、鳞状细胞癌、肠癌、肝细胞癌、视网膜母细胞瘤、宫颈癌、胶质母细胞瘤、乳腺癌和胰腺癌等放射治疗和化疗不敏感癌症或癌症转移的方法，用于治疗受体。
• New Compounds 806
  申请人：Besidki Yevgeni

  公开号：US20120238579A1

  公开（公告）日：2012-09-20

  The present invention relates to new compounds of formula (I) and to pharmaceutical composition containing said compounds and to the use of said compounds in therapy. The present invention further relates to processes for the preparation of said compounds and to new intermediates useful in the preparation thereof.

  本发明涉及公式(I)的新化合物，以及包含该化合物的制药组合物和该化合物在治疗中的使用。本发明还涉及制备该化合物的过程以及在制备中有用的新中间体。