铁次氮基三乙酸盐 | 16448-54-7

• 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
• 中文名称: 铁次氮基三乙酸盐
• 英文名称: ferric nitrilotriacetic acid
• 英文别名: iron(III) nitrilotriacetate；Fe(III)(nitrilotriacetate)；ferric nitrilotriacetate；iron nitriloacetate；Fe-NTA；ferric nitrilo-triacetate；2-[bis(carboxylatomethyl)amino]acetate;iron(3+)
• CAS: 16448-54-7
• 化学式: C₆H₆NO₆*Fe
• 分子量: 243.964
• InChiKey: FXDLIMJMHVKXAR-UHFFFAOYSA-K

物化性质

• 沸点：
  82.5°C
• 分解：
  When heated to decomposition it emits toxic fumes of /nitrogen oxides/.

计算性质

• 辛醇/水分配系数(LogP)：
  -5.46
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  7

ADMET

毒理性

• 致癌性证据

评估：有充分证据表明，硝基三乙酸及其钠盐在实验动物中具有致癌性。关于硝基三乙酸及其盐在人类中的致癌性，没有来自人体研究的数据。在制定总体评估时，工作组注意到硝基三乙酸在某种程度上会从溶液中的硝基三乙酸盐中释放出来。总体评估：硝基三乙酸及其盐可能对人类具有致癌性（2B组）。

Evaluation: There is sufficient evidence for the carcinogenicity of nitrilotriacetic acid and its sodium salts in experimental animals. No data were available from studies in humans on the carcinogenicity of nitrilotriacetic acid and its salts. In formulating the overall evaluation, the Woring Group took note of the fact that nitrilotriacetic acid is liberated to some extent from nitrilotriacetate salts in solution. Overall evaluation: Nitrilotriacetic acid and its salts are possibly carcinogenic in humans (Group 2B)>

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

基本治疗：建立专利气道。如有必要，进行吸痰。观察呼吸不足的迹象，如有必要，协助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测休克并视需要进行治疗……。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用生理盐水连续冲洗每只眼睛……。不要使用催吐剂。对于摄入，如果患者能够吞咽，有强烈的呕吐反射，且不流口水，则用水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释。/铁及其相关化合物/

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. /Iron and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

高级治疗：对于失去意识的患者，考虑进行口咽或鼻咽气管插管以控制气道。监测心率和必要时治疗心律失常。开始静脉输液，使用乳酸钠林格氏液/生理盐水：为了保持开放，最低流量。注意液体过载的迹象。对于伴有低血容量迹象的低血压，谨慎给予液体。注意液体过载的迹象。使用丙美卡因氢氯化物协助眼部冲洗。/铁及其相关化合物/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with lactated Ringer's /SRP: "To keep open", minimal flow rate/. Watch for signs of fluid overload. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Iron and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

保持呼吸道通畅，必要时协助通气。积极使用静脉晶体液治疗由出血性胃肠炎引起的休克，并在需要时输血。由于胃肠道丢失和液体进入肠壁和间质空间的第三间隙，患者常常出现明显的低血容量。如果出现昏迷、癫痫和代谢性酸中毒，则进行治疗。对于严重中毒受害者（例如，休克、严重酸中毒和/或血清铁> 500-600 mcg/dL），给予去铁胺。监测尿液，以发现特征性的橙色或粉红色去铁胺-铁复合物。当尿液恢复正常或血清铁水平降至正常范围时，可以停止治疗。长期使用去铁胺与成人呼吸窘迫综合征和耶尔森菌血症有关。

Maintain an open airway and assist ventilation if necessary. Treat shock caused by hemorrhagic gastrointestinitis aggressively with intravenous crystalloid fluids, and replace blood if needed. Patients are often markedly hypovolemic owing to gastrointestinal losses and third spacing of fluids into the intestinal wall and interstitial space. Treat coma, seizures, and metabolic acidosis if they occur. For seriously intoxicated victims (eg, shock, severe acidosis, and/or serum iron > 500-600 mcg/dL) administer deferoxamine. Monitor the urine for the urine for the characteristic orange or pink deferoxamine-iron complex. Therapy may be stopped when the urine returns to normal or when the serum iron level decreases to the normal range. Prolonged deferoxamine has been associated with adult respiratory distress syndrome and Yersinia sepsis.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

活性炭无效。不建议使用吐根糖浆，因为它可能加剧铁剂引起的胃肠道刺激，并干扰整个肠道冲洗。如果产品是液体配方或片剂被嚼碎，考虑洗胃。不要使用含磷酸盐的溶液进行灌洗；这可能导致生命威胁性的高钠血症、高磷血症和低钙血症。碳酸氢盐和去铁胺灌洗的效果值得怀疑。去铁胺灌洗无效，可能会增强铁的吸收。整个肠道冲洗对于吞入的片剂非常有效，可以被视为一线治疗方法，特别是如果普通腹部X光片上可见大量片剂。大量摄入可能会导致凝结物或团块。重复或长时间的整个肠道冲洗可能会移除片剂。内窥镜检查或外科胃切开术很少需要。

Activated charcoal is not effective. Ipecac is not recommended, because it can aggravate iron-induced gastrointestinal irritation and interfere with whole bowel irrigation. Consider gastric lavage if product was a liquid formulation or tablets were chewed. Do-not use phosphate-containing solutions for lavage; these may result in life-threatening hypernatremia, hyperphosphatemia, and hypocalcemia. Bicarbonate and deferoxamine lavage are of doubtful efficacy. Deferoxamine lavage is not effective and may enhance iron absorption. Whole-bowel irrigation is very effective for ingested tablets and may be considered first-line treatment, especially if large numbers of tablets are visible on plain abdominal x-ray. Massive ingestions may lead to concretions or bezoars. Repeated or prolonged whole-bowel irrigation may remove tablets. Endoscopy or surgical gastrotomy is rarely required.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

尽管浓度/NTA/在停止摄入后会迅速下降，但每次剂量后都会有一部分保留在骨骼中... /氮川三乙酸/

Although concentration /NTA/ decrease rapidly with cessation of intake, a small amount was retained in bone after each dose... /Nitrilotriacetic acid/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

NTA-(14)C 口服给予大鼠。95% 通过尿液排出。小于1% 作为 CO2 排出。从胃肠道吸收 NTA 的情况不同：狗大于大鼠大于兔子和猴子。 ... 沉积在骨骼中。浓度 ... 随着给药剂量的增加而增加。积累最活跃的区域是在骨骼形成非常活跃的部位。/NTA/

NTA-(14)C administered orally to rats. 95% was excreted in urine. Less than 1%...as CO2. Absorption of NTA from GI tract varied: dog greater than rat greater than rabbit and monkey. ... Deposited in skeleton. Concentration ... increases with number of doses administered. Most active areas for accumulation are at sites of very active bone formation. /NTA/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在注入大量硝酸亚铁后，转铁蛋白完全饱和。大部分过量的血清Fe3+-nta与血清蛋白结合，而不是以游离的Fe3+-nta形式存在。

After injecting large amount of ferric nitrilotriacetate, complete saturation of transferrins followed. Most excess serum Fe3+-nta existed in association with serum protein rather than as free Fe3+-nta.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在细胞内，Fe2+被转化为ferritin中的Fe3+，后者在细胞生理上“耗尽”之前不会被吸收。在血液中，铁可以迅速被溶解氧氧化成Fe3+，它与特定的铁转运beta1-球蛋白结合。

In cell, Fe2+ is converted to Fe3+ in ferritin, the latter not being absorbed until cell is physiologically "depleted." In the blood strain, iron could be quickly oxidized by dissolved oxygen to Fe3+, which complexes with specific Fe-transport beta1-globulin.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 海关编码：
  2921199090

反应信息

• 作为反应物：
  描述：

  铁次氮基三乙酸盐 在 uranyl(VI) nitrate 作用下， 以 potassium bromide 为溶剂， 生成 一氧化碳
  参考文献：
  名称：

  Bansal, A. K.; Ameta, S. C.; Bokadia, M. M., Acta Chimica Academiae Scientiarum Hungaricae, 1982, vol. 111, # 3, p. 267 - 270

  摘要：

  DOI：
• 作为产物：
  描述：

  disodium hydrogen nitrilotriacetate 、 ferric nitrate 在 盐酸 作用下， 以 水 为溶剂， 生成 铁次氮基三乙酸盐
  参考文献：
  名称：

  通过负离子在线固相萃取定量分析前列腺素作为体外和体内氧化应激生物标志物 - 液相色谱-串联质谱法

  摘要：

  自由基介导的花生四烯酸氧化为前列腺素类化合物与多种病理生理状况有关，例如氧化应激。在这里，我们报告了一种液相色谱-质谱方法的开发，该方法基于区域异构体特异性质量转换测量几类前列腺素衍生物，低至 20 pg/ml 的水平，用于测量原代肝细胞中的前列腺素生物标志物。大鼠和人肝细胞中前列腺素衍生物的定量分析显示几种异构体对应激反应的增加。除了公认的氧化应激标志物如 8-异前列腺素 F2α 和前列腺素异构体 PE2 和 PD2 外，该方法显示 15R-前列腺素 D2 在未处理的大鼠肝细胞中从 236.1 ± 138.0 pg/1E6 细胞显着增加到 2001 ± 577.1 pg/1E6 细胞用三铁 NTA 处理 （一种与次氮基三乙酸的 Fe3 + 螯合物在体外和体内引起氧化应激）。与 15R-前列腺素 D2 一样，鉴定出一种未分配的异构体，其显示比通常分析的前列腺素衍生物更显着的增加。在高分辨率

  DOI：

  10.1016/j.ab.2016.01.005
• 作为试剂：
  描述：

  3,5-二叔丁基邻苯二酚 在 铁次氮基三乙酸盐 氧气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 120.0h， 以3%的产率得到3,5-二叔丁基邻苯醌
  参考文献：
  名称：

  Ferric nitrilotriacetate: an active-center analog of pyrocatechase

  摘要：

  DOI：

  10.1021/ja00377a049

文献信息

• Formation and decomposition of iron-carbon .sigma.-bonds in the reaction of iron(II)-poly(amino carboxylate) complexes with CO2-free radicals. A pulse radiolysis study
  作者：Sara. Goldstein、Gidon. Czapski、Haim. Cohen、Dan. Meyerstein

  DOI：10.1021/ja00220a030

  日期：1988.6

  Etude en solutions aqueuses a pH neutre. Des complexes a liaisons metal-C sont formes comme intermediaires instables. Constantes de stabilite des complexes. Cinetique de formation et de decomposition

  Etude en 解决方案将 pH 值设为中性。Des complexes a liaisons metal-C sont formes comme intermediaires instables. Constantes de stabilite des complexes。Cinetique de形成和分解
• Methods and Compositions to Regulate Iron Metabolism
  申请人：Lin Herbert Y.

  公开号：US20080260736A1

  公开（公告）日：2008-10-23

  The present invention provides new systems and strategies for the regulation of iron metabolism in mammals. In particular, methods of using agonists and antagonists of TGF-β superfamily members to modulate the expression or activity of hepcidin, a key regulator of iron metabolism, are described. The inventive methods find applications in the treatment of diseases associated with iron overload, such as juvenile hemochromatosis and adult hemochromatosis, and in the treatment of diseases associated with iron deficiency, such as anemia of chronic disease and EPO resistant anemia in end-stage of renal disease. The present invention also relates to screening tools and methods for the development of novel drugs and therapies for treating iron metabolism disorders.

  本发明提供了哺乳动物铁代谢调节的新系统和策略。具体来说，本发明描述了利用TGF-β超家族成员的激动剂和拮抗剂来调节铁代谢的关键调节因子hepcidin的表达或活性的方法。这些创新方法适用于治疗与铁过载相关的疾病，如青少年血色素沉着症和成人血色素沉着症，以及治疗与铁缺乏相关的疾病，如慢性疾病性贫血和肾脏疾病末期的EPO耐受性贫血。本发明还涉及用于开发治疗铁代谢紊乱的新药物和疗法的筛选工具和方法。
• Reactions of iron(II) nitrilotriacetate and iron(II) ethylenediamine-N,N'-diacetate complexes with hydrogen peroxide
  作者：J. D. Rush、W. H. Koppenol

  DOI：10.1021/ja00223a013

  日期：1988.7

  La reaction a pH neutre en presence de formiate conduit a des especes transitoires caracterisees par absorption UV

  La 反应 a pH 中性 en 存在 deformiate 导管 a des eseses transoires caracterises par 吸收 UV
• Photochemically Induced Orthometalations. Isolation of (<u>Remark: Graphics omitted.</u>), (<u>Remark: Graphics omitted.</u>), and (<u>Remark: Graphics omitted.</u>) from RMn(CO)₃[P(OPh)₃]₂(R=CH₃and H) and MeMn(CO)₄P(OPh)₃
  作者：Satoru Onaka、Yoshinori Kondo、Nobuhiro Furuichi

  DOI：10.1246/bcsj.56.2296

  日期：1983.8

  Photochemical reactions of RMn(CO)3L2 (R=H and CH3; L=P(OC6H5)3) and CH3Mn(CO)4L in benzene gave several kinds of orthometalated products, (Remark: Graphics omitted.) (x=0, 1, and 2). The reactions have been shown to proceed via ligand dissociation, CO and/or L, from the parent compounds and the resulting 16-electron intermediates activate a C–H bond of phenyl groups in triphenyl phosphite intramolecularly

  RMn(CO)3L2 (R=H and CH3; L=P(OC6H5)3) 和 CH3Mn(CO)4L 在苯中的光化学反应得到几种原金属化产物，（备注：图形省略。）（x=0， 1 和 2)。这些反应已被证明通过配体解离、CO 和/或 L 从母体化合物中进行，所得的 16 电子中间体在分子内激活亚磷酸三苯酯中苯基的 C-H 键以产生正金属化产物。将 MeMn(CO)3L2 和 MeMn(CO)4L 的光化学反应结果与这些化合物的热反应结果进行比较。HMn(CO)4L 通过光化学和热反应保持完整。
• Ascorbate interference-resistant composition, device and method for the
  申请人：Miles Laboratories, Inc.

  公开号：US04587220A1

  公开（公告）日：1986-05-06

  A composition, test means (and device) and method for determining peroxidatively active substances in a test sample are disclosed. The composition, test means (and device) and method are rendered resistant to the adverse affects of ascorbate which may be present in the sample by the inclusion in the composition of a metal chelate which is polycarboxyalkylamine derivative having the formula: ##STR1## where: (a) R.sub.1 is hydrogen or straight or branched chain alkyl alcohol or alkyl carboxylic acid radicals having from 2 to 3 carbon atoms; R.sub.2, R.sub.3, R.sub.x and R.sub.y, same or different, are straight or branched chain alkyl alcohol or alkyl carboxylic acid radicals having from 2 to 3 carbon atoms; where at least two of R.sub.1, R.sub.2, R.sub.3, R.sub.x or R.sub.y are alkyl carboxylic acid radicals so defined; (b) R.sub.p and R.sub.q, same or different, are straight or branched chain alkylene radicals having from 1 to 3 carbon atoms or divalent 1,2-cycloaliphatic radicals having from 6 to 9 carbon atoms; (c) n is an integer having a value of from 0 to 1; m is an integer having a value of from 0 to 2; where if m is greater than 0, repeated R.sub.p and repeated R.sub.q radicals may be the same or different; and (d) M is Fe.sup.+3. The composition also comprises an organic hydroperoxide and an indicator capable of providing a detectable response in the presence of peroxide and the peroxidatively active substance. The test means comprises a carrier matrix incorporated with the composition, and the method comprises immersing the test means (or device) in the test sample and observing a color or other detectable response.

  本发明公开了一种用于测定测试样品中过氧化物活性物质的组合物、测试手段（和装置）和方法。该组合物、测试手段（和装置）和方法通过在组合物中包含具有以下公式的多羧基烷基胺衍生物的金属螯合物，使其对可能存在于样品中的抗坏血酸的不良影响具有抵抗力：##STR1## 其中：（a）R.sub.1为氢或直链或支链烷基醇或具有2至3个碳原子的烷基羧酸基团；R.sub.2，R.sub.3，R.sub.x和R.sub.y，相同或不同，是具有2至3个碳原子的直链或支链烷基醇或烷基羧酸基团；其中至少两个R.sub.1，R.sub.2，R.sub.3，R.sub.x或R.sub.y是如上所定义的烷基羧酸基团；（b）R.sub.p和R.sub.q，相同或不同，是具有1至3个碳原子的直链或支链亚烷基基团或具有6至9个碳原子的二价1,2-环脂肪基团；（c）n是一个整数，其值为0至1；m是一个整数，其值为0至2；如果m大于0，则重复的R.sub.p和重复的R.sub.q基团可以相同或不同；（d）M为Fe.sup.+3。该组合物还包括有机过氧化物和能够在过氧化物和过氧化物活性物质存在时提供可检测响应的指示剂。测试手段包括与组合物结合的载体基质，方法包括将测试手段（或装置）浸入测试样品中并观察颜色或其他可检测响应。