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hydron;iodine-129(1-) | 15046-84-1

中文名称
——
中文别名
——
英文名称
hydron;iodine-129(1-)
英文别名
——
hydron;iodine-129(1-)化学式
CAS
15046-84-1
化学式
HI
mdl
——
分子量
130.008
InChiKey
XMBWDFGMSWQBCA-NJFSPNSNSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -2.88
  • 重原子数:
    1
  • 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:
    1
  • 氢受体数:
    1

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,造成甲状腺功能减退。放射性碘产生的电离辐射造成细胞损伤,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性。这导致正常细胞和组织稳态的丧失,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
内化的发射β粒子的放射性核素对人类是致癌的(第1组)。伽马射线对人类是致癌的(第1组)。(L2150) I-129通过低能量的β和伽马射线衰变。
Internalized radionuclides that emit β particles are carcinogenic to humans (Group 1). γ-radiation is carcinogenic to humans (Group 1). (L2150) I-129 decays with low-energy beta and gamma emissions.
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影响,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,因为它倾向于在该处集中。
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
  • 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)
毒理性
  • 症状
摄入碘可能会导致腐蚀性影响,如喉头水肿,伴有窒息、吸入性肺炎、肺水肿和休克,以及呕吐和血性腹泻。急性碘摄入后出现的CNS(中枢神经系统)、心血管和肾毒性似乎是由于腐蚀性胃肠炎和随之发生的休克。在严重中毒后,可能会观察到呕吐、低血压和循环衰竭。暴露于高剂量的电离辐射会导致急性辐射综合症,可能导致皮肤烧伤、脱发、恶心、呕吐、眩晕、定向障碍、低血压、头痛、疲劳、虚弱、发热、出生缺陷、疾病、感染和死亡。
Ingestion of iodine may cause corrosive effects such as oedema of the glottis, with asphyxia, aspiration pneumonia, pulmonary oedema and shock, as well as vomiting and bloody diarrhea. The CNS, cardiovascular and renal toxicity following acute iodine ingestion appear to be due to the corrosive gastroenteritis and resultant shock. Vomiting, hypotension and circulatory collapse may be noted following severe intoxication. Exposure to high doses of ionizing radiation results in acute radiation syndrome, which can cause skin burns, hair loss, nausea, vomiting, dizziness, disorientation, low blood pressure, headache, fatigue, weakness, fever, birth defects, illness, infection, and death. (L1837, L1852, L1848)
来源:Toxin and Toxin Target Database (T3DB)

反应信息

  • 作为反应物:
    描述:
    rubidium carbonatehydron;iodine-129(1-) 以 not given 为溶剂, 生成 rubidium iodide
    参考文献:
    名称:
    Microscopic view of disorder in the ordered phase of superionic RbAg4I5
    摘要:
    DOI:
    10.1103/physrevb.28.82
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文献信息

  • Microscopic view of disorder in the ordered phase of superionic Rb<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Ag</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">I</mml:mi></mml:mrow><mml:mrow><mml:mn>5</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
    作者:M. Pasternak
    DOI:10.1103/physrevb.28.82
    日期:——
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