四氨合铜 (II) 硫酸盐水合物 | 22989-83-9

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属氧阴离子化合物
• 中文名称: 四氨合铜 (II) 硫酸盐水合物
• 中文别名: 硫酸四氨合铜(II)一水合物；四氨合铜(II)硫酸盐水合物；硫酸四氨合铜(II)；四氨络酮(II)硫酸一水合物
• 英文名称: tetramminecopper(II) sulfate monohydrate
• 英文别名: copper;azane;sulfate;hydrate
• CAS: 22989-83-9
• 化学式: CuH₁₂N₄*H₂O*O₄S
• 分子量: 245.747
• InChiKey: ABAHXVHZPFQSDZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.52
• 重原子数：
  11
• 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：
  93.6
• 氢给体数：
  5
• 氢受体数：
  9

ADMET

代谢

铜主要通过胃肠道吸收，但也可以通过吸入和皮肤吸收。它通过基底外侧膜，可能是通过调节铜转运蛋白，并与血清白蛋白结合被运输到肝脏和肾脏。肝脏是铜稳态的关键器官。在肝脏和其他组织中，铜以与金属硫蛋白、氨基酸结合以及与依赖铜的酶相关联的形式储存，然后分配通过胆汁排出或并入细胞内和细胞外蛋白中。铜通过血浆中与血清白蛋白、铜蓝蛋白或低分子量复合物结合被运输到外周组织。铜可能诱导金属硫蛋白和铜蓝蛋白的产生。膜结合的铜转运腺苷三磷酸酶（Cu-ATPase）将铜离子输送到细胞内和细胞外。体内生理正常水平的铜通过改变铜的吸收速率和数量、分布区域以及排泄来保持恒定。(L277, L279)

Copper is mainly absorbed through the gastrointestinal tract, but it can also be inhalated and absorbed dermally. It passes through the basolateral membrane, possibly via regulatory copper transporters, and is transported to the liver and kidney bound to serum albumin. The liver is the critical organ for copper homoeostasis. In the liver and other tissues, copper is stored bound to metallothionein, amino acids, and in association with copper-dependent enzymes, then partitioned for excretion through the bile or incorporation into intra- and extracellular proteins. The transport of copper to the peripheral tissues is accomplished through the plasma attached to serum albumin, ceruloplasmin or low-molecular-weight complexes. Copper may induce the production of metallothionein and ceruloplasmin. The membrane-bound copper transporting adenosine triphosphatase (Cu-ATPase) transports copper ions into and out of cells. Physiologically normal levels of copper in the body are held constant by alterations in the rate and amount of copper absorption, compartmental distribution, and excretion. (L277, L279)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

过量的铜被储存在肝细胞溶酶体中，在那里它与金属硫蛋白结合。当溶酶体饱和，铜在细胞核中积累，导致核损伤时，铜的肝毒性被认为会发生。这种损伤可能是由于氧化损伤，包括脂质过氧化。铜抑制了诸如葡萄糖-6-磷酸1-脱氢酶、谷胱甘肽还原酶和对氧磷酶等含有巯基团的酶，这些酶保护细胞免受自由氧自由基的侵害。它还影响基因表达，并且是氧化酶如细胞色素C氧化酶和赖氨氧化酶的辅因子。此外，由铜引起的氧化应激被认为会激活酸性鞘磷脂酶，导致神经酰胺的产生，这是一种凋亡信号，同时也会引起溶血性贫血。铜诱导的呕吐是由于迷走神经的刺激所致。

Excess copper is sequestered within hepatocyte lysosomes, where it is complexed with metallothionein. Copper hepatotoxicity is believed to occur when the lysosomes become saturated and copper accumulates in the nucleus, causing nuclear damage. This damage is possibly a result of oxidative damage, including lipid peroxidation. Copper inhibits the sulfhydryl group enzymes such as glucose-6-phosphate 1-dehydrogenase, glutathione reductase, and paraoxonases, which protect the cell from free oxygen radicals. It also influences gene expression and is a co-factor for oxidative enzymes such as cytochrome C oxidase and lysyl oxidase. In addition, the oxidative stress induced by copper is thought to activate acid sphingomyelinase, which lead to the production of ceramide, an apoptotic signal, as well as cause hemolytic anemia. Copper-induced emesis results from stimulation of the vagus nerve. (L277, T49, A174, L280)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

对人类不具有致癌性（未被国际癌症研究机构IARC列名）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

人们每天必须吸收少量铜，因为铜对健康至关重要。然而，高水平的铜可能有害。极高的铜剂量可能对肝脏和肾脏造成损害，甚至导致死亡。铜可能引起敏感人群的过敏反应。

People must absorb small amounts of copper every day because copper is essential for good health, however, high levels of copper can be harmful. Very-high doses of copper can cause damage to your liver and kidneys, and can even cause death. Copper may induce allergic responses in sensitive individuals. (L278, L279)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服 (L277) ; 吸入 (L277) ; 皮肤给药 (L277)

Oral (L277) ; inhalation (L277) ; dermal (L277)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

吸入高浓度的铜可以导致鼻和喉咙的刺激。摄入高浓度的铜可以引起恶心、呕吐、腹泻、头痛、眩晕和呼吸困难。

Breathing high levels of copper can cause irritation of the nose and throat. Ingesting high levels of copper can cause nausea, vomiting, diarrhea, headache, dizziness, and respiratory difficulty. (L278, L279)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为反应物：
  描述：

  四氨合铜 (II) 硫酸盐水合物 以 neat (no solvent) 为溶剂， 生成 copper(II) sulfate
  参考文献：
  名称：

  Kane, R., Annales de Chimie et de Physique, 1839, vol. 72, p. 225 - 311

  摘要：

  DOI：
• 作为产物：
  描述：

  ammonium carbonate 、 copper(ll) sulfate pentahydrate 以 neat (no solvent) 为溶剂， 生成 四氨合铜 (II) 硫酸盐水合物
  参考文献：
  名称：

  Preparation of metal ammine salts

  摘要：

  公开号：

  US02412890A1

文献信息

• The kinetics and mechanism of the thermal decomposition of tetramminecopper(II) sulphate monohydrate
  作者：Živan D. Živković

  DOI：10.1016/0040-6031(92)85200-f

  日期：1992.7

  Abstract The results obtained in the investigation of the thermal decomposition of tetramminecopper( II ) sulphate monohydrate in air atmosphere are presented. The mechanism of the process was determined by simultaneous DTA-TG-DTG, and kinetic parameters for the reactions of the defined process were obtained according to the method of Kissinger. The enthalpy of the process and the specific heat capacity

  摘要 介绍了硫酸四氨合铜(II)一水合物在空气中热分解的研究结果。通过同步DTA-TG-DTG确定了该过程的机理，并根据Kissinger的方法获得了所定义过程的反应动力学参数。该过程的焓和在[Cu(NH 3 ) 4 ]SO 4 ·H 2 O 热分解过程中形成的产物的比热容C p 由DSC测量确定。
• Thermal decomposition kinetics
  作者：Suresh Mathew、C.G.R. Nair、K.N. Ninan

  DOI：10.1016/0040-6031(89)85082-8

  日期：1989.5

  kinetics and mechanism of the thermal decomposition of tetrammine copper(II) sulphate monohydrate have been studied using non-isothermal thermogravimetry. Kinetic parameters were calculated for each step in the decomposition reaction from the TG curve using four integral methods, three “exact” and one “approximate”. The rate-controlling process for all the four stages of decomposition is random nucleation

  摘要 使用非等温热重法研究了四胺硫酸铜（II）一水合物的热分解动力学和机理。使用四种积分方法（三种“精确”和一种“近似”）从 TG 曲线计算分解反应中每个步骤的动力学参数。所有四个分解阶段的速率控制过程是随机成核，每个粒子上形成一个核（Mampel 方程）。分解阶段已从 X 射线衍射和独立热解中确定。
• Synthesis, crystal structure and investigation of mononuclear copper(II) and zinc(II) complexes of a new carboxylate rich tripodal ligand and their interaction with carbohydrates in alkaline aqueous solution
  作者：Christopher D. Stewart、Mayra Pedraza、Hadi Arman、Hua-Jun Fan、Eduardo Luiz Schilling、Bruno Szpoganicz、Ghezai T. Musie

  DOI：10.1016/j.jinorgbio.2015.04.012

  日期：2015.8

  tripodal ligand, N-[2-carboxybenzomethyl]-N-[carboxymethyl]-β-alanine (H3camb), and its di-copper(II), (NH4)2[1]2, and di-zinc(II), ((CH3)4 N)2[2]2, complexes have been synthesized as carbohydrate binding models in aqueous solutions. The ligand and complexes have been fully characterized using several techniques, including single crystal X-ray diffraction. The interactions of (NH4)2[1]2 and ((CH3)4 N)2[2]2

  一种新的富含羧酸盐的不对称三足配体，N -[2-羧基苯甲甲基] -N- [羧甲基]-β-丙氨酸（H 3 camb）及其二铜（II），（NH 4）2 [ 1 ] 2，和二锌(II), ((CH 3 ) 4  N) 2 [ 2 ] 2复合物已被合成为水溶液中的碳水化合物结合模型。配体和配合物已使用多种技术进行了充分表征，包括单晶 X 射线衍射。使用 UV-Vis 研究了(NH 4 ) 2 [ 1 ] 2和 ((CH 3 ) 4  N) 2 [ 2 ] 2与d-葡萄糖、d-甘露糖、d-木糖和木糖醇在水性碱性介质中的相互作用和13 C-NMR 光谱技术。摩尔电导、NMR 和 ESI-MS 研究表明，络合物在溶液中解离，产生各自的络合物阴离子1 -和2 -。复合物1 -和2 -对天然丰富且生物学相关的糖、d-葡萄糖、d-甘露糖、d-木糖和木糖醇表现出螯合能力。即使在溶液中存在化学计量过量的底物，络合
• An Unprecedented-Type Intramolecular Redox Reaction of Solid Tetraamminecopper(2+) Bis(permanganate) ([Cu(NH3)4](MnO4)2) – A Low-Temperature Synthesis of Copper Dimanganese Tetraoxide-Type (CuMn2O4) Nanocrystalline Catalyst Precursors
  作者：László Kótai、Kalyan K. Banerji、István Sajó、János Kristóf、B. Sreedhar、Sándor Holly、Gábor Keresztury、Antal Rockenbauer

  DOI：10.1002/1522-2675(200208)85:8<2316::aid-hlca2316>3.0.co;2-a

  日期：2002.8

  between the MnO¥¥¥H N linkage with formation of NH4NO3 and CuMn2O4-type mixed oxides instead of stepwise deammoniation, even below 100. The thermal deammoniation of 1 in aqueous solution led, instead of to hydrated copper(2) bis(permanganate), to the formation of NH4MnO4 (2). Since the temperature of the thermal deammoniation of 1 is lower than the decomposition temperature of the permanganate ion, the

  b), Istva ¬ n Sajo ¬ a ), Ja ¬nos Kristo ¬fc Tetraamminecopper(2) bis(permanganate) ((Cu(NH3)4)(MnO4)2; 1)水溶液和固相。通过IR和拉曼方法检测了络合物阳离子的氨配体与高锰酸根离子的O原子之间存在H键相互作用。1 的固相热脱氨导致 MnO¥¥¥HN 键之间发生不寻常的分子内氧化还原反应，形成 NH4NO3 和 CuMn2O4 型混合氧化物，而不是逐步脱氨，甚至低于 100。1 在水溶液中的热脱氨导致形成 NH4MnO4 (2)，而不是水合双高锰酸铜 (2)。由于1的热脱氨温度低于高锰酸根离子的分解温度，
• Experimentally Validated Ab Initio Crystal Structure Prediction of Novel Metal–Organic Framework Materials
  作者：Yizhi Xu、Joseph M. Marrett、Hatem M. Titi、James P. Darby、Andrew J. Morris、Tomislav Friščić、Mihails Arhangelskis

  DOI：10.1021/jacs.2c12095

  日期：2023.2.15

  First-principles crystal structure prediction (CSP) is the most powerful approach for materials discovery, enabling the prediction and evaluation of properties of new solid phases based only on a diagram of their underlying components. Here, we present the first CSP-based discovery of metal–organic frameworks (MOFs), offering a broader alternative to conventional techniques, which rely on geometry

  第一性原理晶体结构预测 (CSP) 是最强大的材料发现方法，可以仅根据其基础成分图预测和评估新固相的特性。在这里，我们展示了第一个基于 CSP 的金属有机骨架 (MOF) 发现，为依赖几何、直觉和实验筛选的传统技术提供了更广泛的替代方案。计算了涉及灵活 Cu(II) 节点的三个系统的相图，这些系统可以采用可能无限数量的网络拓扑，并且不适合传统的 MOF 设计。CSP 程序通过合成材料进行实验验证，这些材料的结构与最低能量计算结构中发现的材料完全匹配，并且其相关特性，