雷(酸)汞[含水或水加乙醇≥20] | 628-86-4

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 中文名称: 雷(酸)汞[含水或水加乙醇≥20]
• 中文别名: 雷酸汞
• 英文名称: mercury fulminate
• 英文别名: mercuric fulminate；Hg(II)-fulminate；fulminic acid; mercury(II) salt；Knallquecksilber；Knallsaeure; Quecksilber(II)-Salz；Knallsaeure; Quecksilber(II)-fulminat；Knallsaeure; Knallquecksilber；Quecksilberfulminat
• CAS: 628-86-4
• 化学式: C₂HgN₂O₂
• 分子量: 284.624
• InChiKey: MHWLNQBTOIYJJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.65
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.3
• 氢给体数：
  0
• 氢受体数：
  2

ADMET

代谢

汞主要通过摄入和吸入被吸收，然后通过血液流布全身，其中一部分会与血红蛋白上的巯基团结合。汞可以经过氧化转化为汞离子，这一过程通过过氧化氢酶-过氧化氢途径进行。汞原子能够扩散进入过氧化氢酶酶裂中，到达含有血红素环的活性位点。由于过氧化氢酶-过氧化氢途径普遍存在，氧化最可能在所有组织中发生。氧化后，汞倾向于在肾脏中积累。汞主要通过呼出和粪便排出体外。(A6, L7)

Mercury is absorbed mainly via ingestion and inhalation, then distributed throughout the body via the bloodstream, where a portion binds to sulfhydryl groups on haemoglobin. Mercury can undergo oxidation to mercuric mercury, which takes place via the catalase-hydrogen peroxide pathway. The mercury atom is able to diffuse down the cleft in the catalase enzyme to reach the active site where the heme ring is located. Oxidation most likely occurs in all tissue, as the catalase hydrogen peroxide pathway is ubiquitous. Following oxidation, mercury tends to accumulate in the kidneys. Mercury is excreted mainly by exhalation and in the faeces. (A6, L7)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

汞离子与蛋白质的巯基或硫醇基团的高亲和力结合被认为是汞活性的主要机制。通过改变细胞内巯基状态，汞可以促进氧化应激、脂质过氧化、线粒体功能障碍和血红素代谢的变化。已知汞能与微囊和线粒体酶结合，导致细胞损伤和死亡。例如，汞能抑制水通道蛋白，阻止细胞膜上的水流。它还抑制LCK蛋白，导致T细胞信号传导减少和免疫系统抑制。汞还被认为是通过作用于突触后神经细胞膜来抑制神经兴奋性。它还通过抑制蛋白激酶C和碱性磷酸酶来影响神经系统，这会损害大脑微血管的形成和功能，并改变血脑屏障。汞还能产生自身免疫反应，可能是通过修饰主要组织相容性复合体（MHC）II类分子、自身肽、T细胞受体或细胞表面粘附分子。

High-affinity binding of the divalent mercuric ion to thiol or sulfhydryl groups of proteins is believed to be the major mechanism for the activity of mercury. Through alterations in intracellular thiol status, mercury can promote oxidative stress, lipid peroxidation, mitochondrial dysfunction, and changes in heme metabolism. Mercury is known to bind to microsomal and mitochondrial enzymes, resulting in cell injury and death. For example, mercury is known to inhibit aquaporins, halting water flow across the cell membrane. It also inhibits the protein LCK, which causes decreased T-cell signalling and immune system depression. Mercury is also believed to inhibit neuronal excitability by acting on the postsynaptic neuronal membrane. It also affects the nervous system by inhibiting protein kinase C and alkaline phosphatase, which impairs brain microvascular formation and function, as well as alters the blood-brain barrier. Mercury also produces an autoimmune response, likely by modification of major histocompatibility complex (MHC) class II molecules, self peptides, T-cell receptors, or cell-surface adhesion molecules. (L7, A8, A25, A26)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

无致癌性迹象（未被国际癌症研究机构列名）。

No indication of carcinogenicity (not listed by IARC). (L135)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

水银主要影响神经系统。接触高水平的金属汞、无机汞或有机汞可能导致大脑、肾脏和发育中的胎儿永久性损害。对大脑功能的影响可能导致易怒、害羞、震颤、视力或听力改变以及记忆问题。儿童的水银中毒，即手足粉红病，特点是手和脚疼痛和粉红色变色。水银中毒还可能引起亨特-拉塞尔综合症和熊本病。

Mercury mainly affects the nervous system. Exposure to high levels of metallic, inorganic, or organic mercury can permanently damage the brain, kidneys, and developing fetus. Effects on brain functioning may result in irritability, shyness, tremors, changes in vision or hearing, and memory problems. Acrodynia, a type of mercury poisoning in children, is characterized by pain and pink discoloration of the hands and feet. Mercury poisoning can also cause Hunter-Russell syndrome and Minamata disease. (L7)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L136）；吸入（L136）；皮肤给药（L136）

Oral (L136) ; inhalation (L136); dermal (L136)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

常见症状包括周围神经病变（表现为感觉异常、瘙痒、灼热或疼痛），皮肤变色（红润的面颊、指尖和脚趾），水肿（肿胀）以及脱屑（死皮层层脱落）。

Common symptoms include peripheral neuropathy (presenting as paresthesia or itching, burning or pain), skin discoloration (pink cheeks, fingertips and toes), edema (swelling), and desquamation (dead skin peels off in layers). (A5)

来源:Toxin and Toxin Target Database (T3DB)

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	methylmercury fulminate	92114-94-8	C2H3HgNO	257.642

反应信息

• 作为反应物：
  描述：

  雷(酸)汞[含水或水加乙醇≥20] 在 三氯化铝 作用下， 生成 氯化氰
  参考文献：
  名称：

  Scholl, Chemische Berichte, 1903, vol. 36, p. 14

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 水 、 mercury dichloride 作用下， 生成 雷(酸)汞[含水或水加乙醇≥20]
  参考文献：
  名称：

  Nef, Justus Liebigs Annalen der Chemie, 1894, vol. 280, p. 325

  摘要：

  DOI：

文献信息

• Reactions of organomercury fulminates with acetylene derivatives
  作者：Francesco De Sarlo、Antonio Guarna、Andrea Goti、Alberto Brandi

  DOI：10.1016/0022-328x(84)80289-2

  日期：1984.7

  Organomercury fulminates react with acetylene derivatives to give unstable 3-(organomercurio)isoxazoles, which isomerize to 2-cyanoenolates. These are hydrolyzed with hydrochloric acid to the corresponding enols and are cleaved by water at the double bond. With monosubstituted acetylenes, substitution at the free position by the organomercury residue is predominant.

  富集的有机聚汞与乙炔衍生物反应生成不稳定的3-（有机聚乙氧基）异恶唑，其异构化为2-氰基烯酸酯。它们用盐酸水解成相应的烯醇，并在双键处被水裂解。对于单取代的乙炔，主要是在自由位置被有机汞残基取代。
• New steroidal anti-inflammatory antedrugs: Methyl 3,20-dioxo-9α-fluoro-11β,17α,21-trihydroxy-1,4-pregnadiene-16α-carboxylate and methyl 21-acetyloxy-3,20-dioxo-11β,17α-dihydroxy-9α-fluoro-1,4-pregnadiene-16α-carboxylate
  作者：Ann S. Heiman、Dong-Hoon Ko、Chen Meiqin、J.Lee Henry

  DOI：10.1016/s0039-128x(97)00020-2

  日期：1997.6

  indicated that, in contrast to the parent compound P, the novel steroidal antedrugs did not significantly alter body weight gain, thymus weights, or plasma corticosterone levels. Relative binding potencies for cytosolic HTC glucocorticoid receptors were 1.0, 20.1, 5.4, and 2.5 for HC, P, FP16CM, and FP16CMAc, respectively. As predicted by the antedrug concept, FP16CM and FP16CMAc were very weak agonists for

  已经集中努力增加用于局部和/或局部应用的强效抗炎类固醇的局部与全身活性比率。本研究中采用的方法基于“抗药性”的概念，定义为局部活性化合物，在应用部位发挥作用，但迅速进行可预测的生物转化，转化为无活性代谢物，进入全身后很容易排出体外。循环。在不断努力合成没有全身性糖皮质激素活性的强效抗炎类固醇，9 α-氟-甲基 11 β, 17 α, 21-trihydroxy-3,20-dioxo-pregna-1,4-diene-16 α-carboxylate (FP16CM) 及其 21-乙酸酯衍生物 (FP16CMAc) 已被合成和筛选。在急性巴豆油诱导的耳水肿生物测定中评估了新型抗炎症药物的抗炎活性、5 天巴豆油模型中的不良全身效应、受体结合以及伴随的 L-酪氨酸-2-酮戊二酸氨基转移酶 (EC 2.6.1.5)（ TAT) 培养的 HTC 细胞中的酶诱导。在巴豆油诱导的耳水肿生物测定中单次局部
• One step conversion of highly dipolarophilic olefins to α-hydroxy-β-cyanoadducts with metal fulminate
  作者：Zhengqing You、Henry Joung Lee

  DOI：10.1016/0040-4039(95)02401-8

  日期：1996.2

  Olefins conjugated with carbonyl, carboxylic ester, and phenyl groups as well as highly strained non-conjugated olefin norbornylene were converted to their corresponding α-hydroxy-β-cyanoadducts by treatment with mercuric fulminate and lithium bromide. The transformation appears to go through a 1,3-dipolar cycloaddition of metal fulminate to the olefin followed by a spontaneous cleavage of the resulting

  通过用高碘酸汞和溴化锂处理，将与羰基，羧酸酯和苯基共轭的烯烃以及高度应变的非共轭烯烃降冰片烯转化为它们相应的α-羟基-β-氰基加合物。该转变似乎经历了将金属酸化金属与烯烃的1，3-偶极环加成，然后自发裂解所得的杂环。因此，该研究提供了烯烃物种的第一步-顺式氰基羟基化。
• Inaccuracies Inherent in Patient-Specific Dual-Energy X-Ray Absorptiometry Bone Mineral Density Measurements: Comprehensive Phantom-Based Evaluation
  作者：H. H. Bolotin、H. Sievänen、J. L. Grashuis、J. W. Kuiper、T. L. N. Järvinen

  DOI：10.1359/jbmr.2001.16.2.417

  日期：——

  An extensive series of dual‐energy X‐ray absorptiometry (DXA) scans and dual polyenergetic X‐ray simulation studies of 150 different phantom arrays were carried out to evaluate quantitatively the extent of systematic inaccuracies inherent in DXA in vivo bone mineral density (BMD). These measurements are particularly relevant to lumbar vertebral and proximal femoral sites. The phantoms were specially fabricated near perfect absorptiometric representations of bone material, red marrow (RM) and yellow marrow (YM), and extraosseous mixtures of fat (F) and lean muscle that spanned the full range of soft tissue anthropometrics encountered clinically. In each case, the DXA‐measured BMD values obtained using Hologic, Lunar, and Norland densitometers were found to be virtually the same and to be in excellent agreement with the corresponding quantitative simulation study BMD results. Comparisons of the known phantom BMD values and DXA‐measured BMD in each case allowed the BMD inaccuracies to be evaluated. These present findings show that these ubiquitous inaccuracies in DXA BMD methodology are of in vivo soft tissue anthropometric genesis. It is found that patient‐specific DXA‐measured in vivo BMD inaccuracies as high as 20% or more can be readily anticipated clinically, particularly in cases of osteopenic, osteoporotic, and elderly patients. As these inaccuracies exceed considerably DXA precision errors, they may compromise patient‐specific evaluations of fracture risk and, in prospective studies, mask or exaggerate clinically significant true changes in BMD. It is concluded that the magnitudes and variability of inherent inaccuracies in DXA‐measured in vivo BMD underscore the need for prudence and circumspection in interpretations and assessments of DXA‐based clinical studies.

  对 150 个不同的模型阵列进行了一系列广泛的双能 X 射线吸收测量（DXA）扫描和双多能 X 射线模拟研究，以定量评估 DXA 体内骨矿物质密度（BMD）固有的系统误差程度。这些测量与腰椎和股骨近端部位尤为相关。模型是专门制作的近乎完美的骨材料、红髓（RM）和黄髓（YM）以及骨外脂肪（F）和瘦肌肉混合物的吸收计量代表，涵盖了临床上遇到的各种软组织人体测量。在每种情况下，使用 Hologic、Lunar 和 Norland 密度计获得的 DXA 测量 BMD 值几乎相同，并且与相应的定量模拟研究 BMD 结果非常一致。通过比较已知的模型 BMD 值和 DXA 测量的 BMD 值，可以对每种情况下的 BMD 误差进行评估。这些研究结果表明，DXA BMD 方法中普遍存在的不准确性是由体内软组织人体测量学造成的。研究发现，临床上很容易预见到患者特定 DXA 测量的体内 BMD 误差高达 20% 或更多，尤其是在骨质疏松、骨质疏松和老年患者的病例中。由于这些误差大大超过了 DXA 的精度误差，因此可能会影响对患者骨折风险的评估，在前瞻性研究中，还会掩盖或夸大 BMD 在临床上的显著真实变化。结论是，DXA 测量的体内 BMD 固有误差的幅度和可变性突出表明，在解释和评估基于 DXA 的临床研究时需要谨慎和小心。
• The Crystal Structures of the Room Temperature and the Low Temperature Phase of Dimethylammonium Trifluoromethanesulfonate
  作者：Pascal D. C. Dietzel、Robert Dinnebier、Martin Jansen

  DOI：10.1002/zaac.200700138

  日期：2007.8

  the low temperature phase because of twinning of the crystal. It was, therefore, independently solved from the synchrotron powder diffraction data using rigid body models of the constituent ions and ab-initio direct space methods. Both, the CF3 group and the SO3 group of the triflate ion, are rotationally disordered around the S–C bond, in the room temperature phase. In the low temperature phase, the

  三氟甲磺酸二甲基铵1是通过三氟甲磺酸与过量二甲胺反应合成的。对多晶物质的温度可变同步加速器测量表明 1 在低于室温时发生相变。通过 DSC 测定，转变发生在加热时 282-285 K 和冷却时 272-280 K 的温度范围内。室温相在空间群 Cmca (a = 11.031 (6) A, b = 18.466 (14) A, c = 8.173 (9) A, V = 1665 (2) A3, Z = 8) 和低温相结晶相空间群 P 21 / c (a = 8.8717 (18) A, b = 8.0838 (16) A, c = 10.968 (2) A, β = 92.128 (4) °, V = 786.0 (3) A3, Z = 4）。通过单晶X射线衍射确定了两相的结构，但是由于晶体的孪​​晶，精制不能为低温相产生令人满意的残余物。因此，它是使用组成离子的刚体模型和从头算直接空间方