trans-1,2-diaminocyclohexane-N,N,N',N'-tetraacetic acid monohydrate | 123333-90-4

• 物质功能分类: 分析化学 - 分析试剂 - 常用分析试剂
• 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
• 英文名称: trans-1,2-diaminocyclohexane-N,N,N',N'-tetraacetic acid monohydrate
• 英文别名: 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate
• CAS: 123333-90-4；125572-95-4
• 化学式: C₁₄H₂₂N₂O₈*H₂O
• 分子量: 364.353
• InChiKey: VASZYFIKPKYGNC-DHTOPLTISA-N

物化性质

• 熔点：
  213-216 °C(lit.)
• 溶解度：
  水基（少量溶解）、甲醇（少量溶解）

计算性质

• 辛醇/水分配系数(LogP)：
  -1.58
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  157
• 氢给体数：
  5
• 氢受体数：
  11

安全信息

• TSCA：
  Yes

制备方法与用途

简介

反式-1,2-环己二胺四乙酸是一种白色结晶性粉末，在70℃以上时会失去结晶水。它几乎不溶于水和有机溶剂，但能溶于碱溶液。这种化合物可用作有机试剂。

应用

反式-1,2-环己二胺四乙酸在分析试剂中作为配体，用于制备镧系位移试剂、金属络合剂以及金属掩蔽剂等。

用途

1.2-环已二胺四乙酸（简称DCTA）是一种白色粉末状结晶，熔点为215℃。它溶于碱溶液而不溶于水和有机溶剂，在70℃以上会失去结晶水。这种化合物能够与多种金属如Fe、Ni、Cu、Zn、Cd等形成稳定的螯合物，通常用于滴定Cd、Fe、Co、Zr等金属离子，快速测定骨和牙齿中的钙含量，以及络合滴定铜、钍和硫酸盐等。

此外，它还用作金属离子络合剂、掩蔽剂。在农业化学中可用作喷雾剂，在日用品化妆品中作为添加剂；也可用于血液抗凝剂、染色助剂、纤维处理剂、合成橡胶聚合引发剂以及彩色感光材料冲洗加的漂白定影液等。它在化学性质上与乙二胺四乙酸相似，但在性能上更为稳定和优越。

螯合剂

反式-1,2-环己二胺四乙酸是一种多齿配体（1-6），可用作制备金属螯合物中的螯合剂，并用于制备镧系元素移位试剂的配体。

医学应用

反式-1,2-环己二胺四乙酸还被用作一种医学显像试剂，用于放射性核素扫描和诊断肿瘤等。

反应信息

• 作为反应物：
  描述：

  nickel oxocarbonate tetrahydrate 、 trans-1,2-diaminocyclohexane-N,N,N',N'-tetraacetic acid monohydrate 以 水 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  Copper(II) and nickel(II) chelates with dihydrogen Trans-1,2-diaminocyclohexane-N,N,N′,N′-tetraacetate(2−) ion (H2CDTA2−). Synthesis, XRD structure and properties of [Cu(H2CDTA)]·H2O and [Ni(H2CDTA)(H2O)·4H2O

  摘要：

  Stoichiometric reactions of metal hydroxycarbonates with the acid trans-1,2-cyclohexanediaminotetraacetic acid (H(4)CDTA) in water under reduced pressure yielded [Cu(H(2)CDTA)]. H2O (I) and [Ni(H(2)CDTA)(H2O)]. 4H(2)O (II). Both compounds were characterized by TG-DTA analysis, spectral properties (IR, reflectance and RSE) and X-ray diffraction. In I the copper(II) atom exhibits a distorted square-base coordination (type 4+1) by chelation of one H(2)CDTA(2-) ligand through two N and two O (carboxylate) at the square base and one O (carboxylic) at the apex of the coordination polyhedron; a second carboxymethyl group of H(2)CDTA(2-) remains free. In II the H(2)CDTA(2-) chelating ligand also plays a quinquedentate role, but one water molecule achieves the slightly distorted octahedral coordination of the nickel(II) atom. Appropriate comparisons with the structure of [M(H(2)EDTA)(H2O)] (M - Ni, Cu) complexes suggest that the steric constraints in the H(2)CDTA ligand promotes the distorted five-coordination of the Cu-II chelate in I as well as the hydration of the nearly octahedral Ni-II derivative (II). The double protonation of the ligand H(2)CDTA(2-) is carried out over different kinds of chelate rings, G and R, for Cu-II and Ni-II M(CDTA) derivatives, respectively (where G and R, indicate metal-glycinate rings nearly coplanar or perpendicular to the plane MNN, respectively).

  DOI：

  10.1016/0277-5387(95)00281-v

文献信息

• [EN] ENGINEERED ANTIMICROBIAL AMPHIPHILIC PEPTIDES AND METHODS OF USE<br/>[FR] PEPTIDES AMPHIPHILES ANTIMICROBIENS MODIFIÉS ET PROCÉDÉS D'UTILISATION
  申请人：PEPTILOGICS INC

  公开号：WO2018160997A1

  公开（公告）日：2018-09-07

  Disclosed herein are novel peptides that can comprise antimicrobial, antiviral, antifungal or antitumor activity when administered to a subject.

  本文披露了一种新型肽，当向受试者施用时，可以具有抗菌、抗病毒、抗真菌或抗肿瘤活性。
• Creatine kinase reagent
  申请人：WAKO PURE CHEMICAL INDUSTRIES LTD

  公开号：EP0721986A2

  公开（公告）日：1996-07-17

  A stabilized liquid reagent for measuring creatine kinase activity which comprises as the main constituent at least one compound selected from the group consisting of thioglycerol, 2-mercaptoethanol, and 2-mercaptoethanesulfonic acid or its salt is stable and can be stored for a long period of time.

  一种用于测量肌酸激酶活性的稳定液体试剂，其主要成分包括至少一种从硫代甘油、2-巯基乙醇和 2-巯基乙烷磺酸或其盐组成的组中选出的化合物，性质稳定，可长期保存。
• AIR BAG GAS GENERATING AGENT
  申请人：OTSUKA KAGAKU KABUSHIKI KAISHA

  公开号：EP0763512A1

  公开（公告）日：1997-03-19

  An object of this invention is to provide an air bag azide-free gas generating composition which can pronouncedly reduce the concentrations of toxic components in the after gas, especially both concentrations of CO and NOx while retaining the desired advantages of azide-free gas generating compositions. The air bag gas generating composition of the invention is an azide-free gas generating composition comprising a nitrogen-containing organic compound and an oxidizing agent as active components, and further contains, as a burning catalyst, at least one metallic oxide selected from the group consisting of molybdenum oxides, tungsten oxides and metallic oxides having a BET specific surface area of at least 5 m2/g.

  本发明的目的是提供一种气囊无氮气体发生组合物，它可以明显降低尾气中有毒成分的浓度，特别是一氧化碳和氮氧化物的浓度，同时保留了无氮气体发生组合物所需的优点。本发明的气囊气体发生组合物是一种无叠氮气体发生组合物，包括作为活性成分的含氮有机化合物和氧化剂，以及作为燃烧催化剂的至少一种金属氧化物，这些金属氧化物选自钼氧化物、钨氧化物和 BET 比表面积至少为 5 m2/g 的金属氧化物。
• MEANS OF STABILIZING HEMOGLOBINS
  申请人：INTERNATIONAL REAGENTS CORPORATION

  公开号：EP1191037A1

  公开（公告）日：2002-03-27

  The present invention resides in a stabilizing agent, characterized by incorporating sulfur containing compound, a method for stabilizing the hemoglobin by incorporating said stabilizing agent, particularly a stabilizing agent, and a method for stabilizing hemoglobin in a state of solution. The stabilization of the control material, and a standard material, containing hemoglobin, for clinical laboratory test, which are required for higher accurate measurement, is attained.

  本发明涉及一种稳定剂，其特点是加入了含硫化合物，一种通过加入所述稳定剂（特别是稳定剂）稳定血红蛋白的方法，以及一种在溶液状态下稳定血红蛋白的方法。实现了用于临床实验室检测的含有血红蛋白的对照材料和标准材料的稳定化，这对更高精度的测量是有要求的。
• PECTIN ORIGINATING IN PLANT CELL
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1739096A1

  公开（公告）日：2007-01-03

  It is intended to find characteristics of a pectin having a high molecular weight as compared with the existing pectins which are obtained by extracting plants and provide a method whereby the pectin can be supplied in a large amount. A callus derived from a plant is cultured so as to produce a pectin having a high molecular weight in the culture or the culture broth. Then the desired pectin is obtained by separating from the thus obtained culture or culture broth and purifying. The pectin thus obtained of the present invention has favorable properties as a moisturizer and, therefore, is excellent as a cosmetic material.

  与现有的通过萃取植物获得的果胶相比，这种果胶具有分子量高的特点，并提供了一种可以大量供应这种果胶的方法。对从植物中提取的胼胝体进行培养，以便在培养物或培养液中产生高分子量的果胶。然后，从获得的培养物或培养液中分离并提纯，即可获得所需的果胶。由此获得的本发明果胶具有良好的保湿特性，因此是极佳的化妆品材料。