Cyclohexane-1,2-dione bis(thiosemicarbazone) | 19901-06-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Cyclohexane-1,2-dione bis(thiosemicarbazone)
• 英文别名: 1,2-cyclohexanedione bis(thiosemicarbazone)；[[2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea
• CAS: 19901-06-5
• 化学式: C₈H₁₄N₆S₂
• 分子量: 258.371
• InChiKey: KUFDKDMUQRYPCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  165
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Cyclohexane-1,2-dione bis(thiosemicarbazone) 、 zinc(II) chloride 以 乙醇 为溶剂， 生成 Zn(cyclohexane-1,2-dione bis(thiosemicarbazone))Cl2 * EtOH
  参考文献：
  名称：

  Transition-metal complexes of cyclohexane-1,2-dione bis(thiosemicarbazone)(H₂L). Crystal structures of [ZnL(OH₂)]·dmf (dmf = dimethylformamide) and [Zn(H₂L)Cl]Cl·2H₂O

  摘要：

  The reaction of chlorides and acetates of Fe-II, Ni-II, Cu-II and Zn-II with the polydentate ligand cyclohexane-1,2-dione bis(thiosemicarbazone) (H(2)L) led to the formation of some novel complexes which have been characterized by spectroscopic methods (NMR, IR). The crystal structures of the two compounds [ZnL(OH2)]. dmf (dmf = dimethylformamide) 1 and [Zn(H(2)L)Cl]Cl . 2H(2)O 2 have been determined. In both complexes the co-ordination geometry about zinc is distorted square-planar pyramidal. The axial sites are occupied by a water molecule in 1 or by a chlorine atom in 2. The ligand is dideprotonated in 1 and neutral in 2, so that in 1 a higher pi-delocalization is observed.

  DOI：

  10.1039/dt9950002297
• 作为产物：
  描述：

  氨基硫脲 、 1,2-环己二酮 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以80.5%的产率得到Cyclohexane-1,2-dione bis(thiosemicarbazone)
  参考文献：
  名称：

  鉴定由细胞内活性氧的产生和溶酶体膜通透性介导的双（硫代半脲）铜的抗肿瘤活性的差异

  摘要：

  双（硫代半脲）及其铜（Cu）配合物具有独特的抗肿瘤特性。但是，它们的作用机理仍不清楚。我们检查了十二个双（硫代半氨基甲酮）的结构-活性关系，以阐明有关其抗癌功效的因素。重要的是，在配体主链的二亚胺位置上的烷基取代产生两个不同的基团，即未取代/单取代和二取代的双（硫代半咔唑酮）。这种烷基取代模式控制着它们：（1）Cu II / I氧化还原电势；（2）诱导细胞64的能力铜释放；（3）亲脂性；（4）抗增殖活性。未取代的双（硫代半碳zone酮）类似物乙二醛双（4-甲基-3-硫代半碳zone酮）（GTSM）的有效抗癌铜络合物可生成细胞内活性氧（ROS），并通过非螯合的铜螯合作用而减弱有毒的铜螯合剂四硫代钼酸盐和抗氧化剂N-乙酰-1-半胱氨酸。荧光显微镜显示，Cu（GTSM）的抗癌活性部分归因于溶酶体膜通透性（LMP）。这项研究首次凸显了ROS和LMP在双（硫代半脲酮）的抗癌活性中的作用。

  DOI：

  10.1016/j.jinorgbio.2015.08.010

文献信息

• Non-toxic corrosion-protection pigments based on manganese
  申请人：——

  公开号：US20040011252A1

  公开（公告）日：2004-01-22

  Corrosion-inhibiting pigments based on manganese are described that contain a trivalent or tetravalent manganese/valence stabilizer complex. An inorganic or organic material is used to stabilize the trivalent or tetravalent manganese ion to form a compound that is sparingly soluble, exhibits low solubility, or is insoluble in water, depending upon the intended usage. Specific stabilizers are chosen to control the release rate of trivalent or tetravalent manganese during exposure to water and to tailor the compatibility of the powder when used as a pigment in a chosen binder system. Stabilizers may also modify the processing and handling characteristics of the formed powders. Manganese/valence stabilizer combinations are chosen based on the well-founded principles of manganese coordination chemistry. Many manganese-valence stabilizer combinations are presented that can equal the performance of conventional hexavalent chromium or tetravalent lead systems. It is emphasized that this abstract is provided to comply with the rules requiring an abstract which will allow a searcher or other reader to quickly ascertain the subject matter of the technical disclosure. It is submitted with the understanding that it will not be used to interpret or limit the scope or meaning of the claims.

  以锰为基础的缓蚀颜料含有三价或四价锰/价稳定剂复合物。一种无机或有机材料可用于稳定三价或四价锰离子，从而形成一种可少量溶解、溶解度低或不溶于水的化合物，具体取决于预期用途。选择特定的稳定剂是为了控制三价锰或四价锰在遇水时的释放率，并调整粉末在所选粘合剂体系中用作颜料时的相容性。稳定剂还可以改变成型粉末的加工和处理特性。锰/价稳定剂组合的选择是基于锰配位化学的基本原理。文中介绍了许多锰价稳定剂组合，其性能与传统的六价铬或四价铅体系相当。需要强调的是，提供本摘要是为了符合要求提供摘要的规则，以便检索者或其他读者快速确定技术公开的主题。提交本摘要的前提是，本摘要不用于解释或限制权利要求的范围或含义。
• Non-toxic corrosion-protection pigments based on rare earth elements
  申请人：——

  公开号：US20040104377A1

  公开（公告）日：2004-06-03

  A corrosion-inhibiting pigment comprising a rare earth element and a valence stabilizer combinded to form a rare earth/valence stabilizer complex. The rare earth element is selected from cerium, terbium, praseodymium, or a combination thereof, and at least one rare earth element is in the tetravalent oxidation state. An inorganic or organic material is used to stabilize the tetravalent rare earth ion to form a compound that is sparingly soluble in water. Specific stabilizers are chosen to control the release rate of tetravalent cerium, terbium, or praseodymium during exposure to water and to tailor the compatibility of the powder when used as a pigment in a chosen binder system. Stabilizers may also modify the processing and handling characteristics of the formed powders. Many rare earth-valence stabilizer combinations are presented that can equal the performance of conventional hexavalent chromium systems.

  一种缓蚀颜料，由稀土元素和价态稳定剂结合形成稀土/价态稳定剂复合物。稀土元素选自铈、铽、镨或它们的组合，至少有一种稀土元素处于四价氧化态。使用无机或有机材料来稳定四价稀土离子，以形成稀溶于水的化合物。选择特定的稳定剂是为了控制四价铈、铽或镨在遇水时的释放率，并调整粉末在所选粘合剂体系中用作颜料时的相容性。稳定剂还可以改变成型粉末的加工和处理特性。本文介绍了许多稀土-价稳定剂组合，其性能可与传统的六价铬体系媲美。
• NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT
  申请人：UNIVERSITY OF DAYTON

  公开号：EP1472319A1

  公开（公告）日：2004-11-03
• Non-toxic corrosion-protection rinses and seals based on rare earth elements
  申请人：——

  公开号：US20040016910A1

  公开（公告）日：2004-01-29

  Rinsing or sealing solutions comprising a rare earth element and a valence stabilizer for barrier films. The treated films contain a rare earth/valence stabilizer complex. The rare earth element is selected from cerium, praseodymium, terbium, or combinations thereof, and at least one rare earth element is in the tetravalent oxidation state. The rinsing or sealing solution may also contain an optional preparative or solubility control agent. The oxidized rare earth element is present in the coating in a “sparingly soluble” form. The valence stabilizers can be either inorganic or organic in nature. A number of rare earth/valence stabilizer combinations that match the performance of conventional hexavalent chromium systems are presented.
• NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE
  申请人：Sturgill A. Jeffrey

  公开号：US20070149673A1

  公开（公告）日：2007-06-28

  Corrosion-inhibiting pigments based on manganese are described that contain a trivalent or tetravalent manganese/valence stabilizer complex. An inorganic or organic material is used to stabilize the trivalent or tetravalent manganese ion to form a compound that is sparingly soluble, exhibits low solubility, or is insoluble in water, depending upon the intended usage. Specific stabilizers are chosen to control the release rate of trivalent or tetravalent manganese during exposure to water and to tailor the compatibility of the powder when used as a pigment in a chosen binder system. Stabilizers may also modify the processing and handling characteristics of the formed powders. Manganese/valence stabilizer combinations are chosen based on the well-founded principles of manganese coordination chemistry. Many manganese-valence stabilizer combinations are presented that can equal the performance of conventional hexavalent chromium or tetravalent lead systems. It is emphasized that this abstract is provided to comply with the rules requiring an abstract which will allow a searcher or other reader to quickly ascertain the subject matter of the technical disclosure. It is submitted with the understanding that it will not be used to interpret or limit the scope or meaning of the claims. 37 C.F.R. § 1.72(b).