1,2-diaminoethane-N,N,N',N'-tetra-(N-methylacetamide) | 172295-91-9

• 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: 1,2-diaminoethane-N,N,N',N'-tetra-(N-methylacetamide)
• 英文别名: 1,2-diaminoethane-N,N,N',N'-tetra(N-methylacetamide)；EDTA tetramethylamide；2-[2-[bis[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide
• CAS: 172295-91-9
• 化学式: C₁₄H₂₈N₆O₄
• 分子量: 344.414
• InChiKey: JLWPBPKRHQCPRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  24
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  123
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,2-diaminoethane-N,N,N',N'-tetra-(N-methylacetamide) 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Gold(III) complexes of amides of EDTA (L, L1) and PDTA (L2, L3) as model systems for gold(III)–peptide/protein interactions.

  摘要：

  Reaction of 1,2-diaminoethane-N,N,N',N'-tetra-(N-methylacetamide), L, with K[AuCl4] in water gave the complex [AuLCl2][AuCl4] which when recrystallised from MeOH/H2O gave the amidate-containing complex [Au(LH-1)Cl][AuCl4] the crystal structure of which shows LH-1 to be present as a tridentate ligand coordinated via its amino group nitrogens and a deprotonated amide group. The geometry around the metal ion in both cation and anion is square planar with bond lengths, Au-N (amine) 2.06(1) and 2.105(9) Angstrom, Au-N (amidate) = 2.00(2) Angstrom, Au-Cl in the cation 2.274(3) and in the anion 2.262(4)-2.278(5) Angstrom. As very few crystal structures of gold(III)-peptide complexes have so far been reported this serves as a model compound for Au(III)-peptide/protein interactions. It is also the first reported structure of a Au(III) complex with tertiary amine donor groups. Reaction of [Au(LH-1)Cl][AuCl4] with dilute HCl in methanol-water gave the complex (LH2)(2)[AuCl4](3.5)[AuCl2](0.5).2H(2)O, the crystal structure of which confirms the presence of doubly protonated L cations and tetrachlorogold(III) and dichlorogold(I) anions. The synthesis of [(AuLCl2)-Cl-1][AuCl4].2H(2)O, [(AuLCl2)-Cl-2]Cl.H2O, [(AuLCl2)-Cl-3]Cl.CH3OH where L-1 is 1,2-diaminoethane-N,N,N',N'-tetra-acetamide, L-2 is 1,2-diaminopropane-N,N,N',N'-tetra-acetamide and L-3 is 1,2-diaminopropane-N,N,N',N'-tetra-(N-methylacetamide) are also reported. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00054-9
• 作为产物：
  描述：

  乙二胺四乙酸 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 3.0h， 生成 1,2-diaminoethane-N,N,N',N'-tetra-(N-methylacetamide)
  参考文献：
  名称：

  一类具有高水合常数的核磁共振成像造影剂 及其制备方法

  摘要：

  本发明涉及一类具有高水合常数的核磁共振成像造影剂及其制备方法。所述的具有高水合常数的核磁共振成像造影剂是一类含有氮氧基团的钆(Ⅲ)配合物。用所述的钆(Ⅲ)配合物制备的核磁共振成像造影剂具有高的水合常数，较好的稳定性和高弛豫率。

  公开号：

  CN104740655B

文献信息

• The First Crystal Structures of Mercury(II) Complexes of Tetra-amides (L1 and L2) and Tetramethylamides (L3 and L4) of EDTA and PDTA. Formation of Distorted Octahedral and Distorted Capped Octahedral Mercury(II) Complexes and of a Trinuclear Complex containing HgCl2-bridged [Hg(L3)Cl]+ Moieties
  作者：Krystyna Krot、Antonio L. Llamas-Saiz、Nagarajan Vembu、Kevin B. Nolan

  DOI：10.1002/zaac.200700269

  日期：2007.9

  The first crystal structures of HgII complexes of EDTA and PDTA tetra-amides are reported. Reaction of EDTA and PDTA tetra-amides (L1 and L2) and tetramethylamides (L3 and L4) with HgCl2 in water/ethanol/acetone produced complexes of formula [Hg(L1)Cl][HgCl4]0.5·0.5H2O, (1), [Hg(L2)Cl]2[HgCl4]·6H2O, (2), [Hg3(L3)2Cl4][HgCl3]2·2H2O, (3), [Hg(L3)Cl]2(PF6)2·5H2O, (4), and [Hg(L4)Cl]2[HgCl3]2·1.5H2O, (5)

  报告了 EDTA 和 PDTA 四酰胺的 HgII 复合物的第一个晶体结构。EDTA 和 PDTA 四酰胺（L1 和 L2）和四甲基酰胺（L3 和 L4）与 HgCl2 在水/乙醇/丙酮中的反应产生式 [Hg(L1)Cl][HgCl4]0.5·0.5H2O，(1) 的复合物, [Hg(L2)Cl]2[HgCl4]·6H2O, (2), [Hg3(L3)2Cl4][HgCl3]2·2H2O, (3), [Hg(L3)Cl]2(PF6)2· 5H2O, (4), 和 [Hg(L4)Cl]2[HgCl3]2·1.5H2O, (5)，其中四酰胺配体的齿数在配合物 1 - 4 中为 6，而在配合物 5 中为 5，给出扭曲的封端八面体 7 坐标配合物和扭曲八面体 6 坐标配合物，分别。复合物 3 包含由 HgCl2 桥接两个 [HgL3(Cl)]+ 部分产生的三核阳离子。复合物的 X 射线晶体结构揭示了由
• Reactions of 1,2-diaminoethane-N,N,N′N′-tetra(N-methylacetamide), L, with potassium tetrachloroplatinate(II). Crystal and molecular structures of Pt(LH−2)Cl2·2H2O, a novel platinum(IV) complex containing deprotonated amide ligands, and of (2H+-L) [PtCl4]
  作者：Colm J. Campbell、Alfonso Castineiras、Kevin B. Nolan

  DOI：10.1016/0020-1693(95)04821-9

  日期：1996.4

  first of a platinum(IV) complex containing deprotonated amide ligands and may serve as a model for platinum(IV)-peptide/protein interactions. The fact that this complex is formed without any added oxidant other than air suggests that deprotonated amide groups facilitate the oxidation of platinum(II) to platinum(IV). The CN and CO bond distances in the coordinated, deprotonated amide groups are almost

  摘要1,2-二氨基乙烷-N，N，N'，N'-四（N-甲基乙酰胺），L与四氯铂酸钾（II）在水溶液中的反应得到结晶盐（2H + -L）[PtCl4]和中性铂（IV）配合物顺式-Pt（LH-2）Cl2·2H2O。后者的晶体和分子结构表明，氯化物配体为顺式，PtCl= 2.308（2）A，LH-2以四齿配体形式存在，通过其两个氨基氮原子配位，PtN= 2.097 （6）A和两个去质子化的酰胺氮PtN= 2.032（4）A彼此反式。该结构是包含去质子化酰胺配体的铂（IV）配合物的第一个结构，可以用作铂（IV）-肽/蛋白质相互作用的模型。形成这种络合物的事实是没有除空气以外的任何其他氧化剂，这表明去质子化的酰胺基团促进了铂（II）氧化为铂（IV）。配位的，去质子化的酰胺基团中的CN和CO键距几乎与未配位的酰胺基团的CN和CO键距相同，这表明在两种情况下，NCO基团中的π电子离域都相似。
• The first reported structure of a platinum(<scp>IV</scp>) complex containing deprotonated amide ligands—a model for platinum(<scp>IV</scp>)-peptide/protein interactions
  作者：Colm J. Campbell、Alfonso Castineiras、Kevin B. Nolan

  DOI：10.1039/c39950001939

  日期：——

  N′-tetra(N-rnethylacetamide) L with K2[PtCl4] in aqueous solution gave H2L[PtCl4] and the unexpected product cis-Pt(LH–2)Cl2 which is the first reported structure of a platinum(IV) complex containing deprotonated amide ligands and a model for platinum(IV)–peptide/protein interactions.

  1，2-二氨基乙烷-N，N，N '，N'-四（N-甲基乙乙酰胺）L与K 2 [PtCl 4 ]在水溶液中反应，得到H 2 L [PtCl 4 ]和意外的产物顺式-Pt （LH –2）Cl 2是第一个报道的含去质子化酰胺配体的铂（IV）配合物的结构，也是铂（IV）-肽/蛋白质相互作用的模型。
• Dimeric compounds and their use as anti-viral agents
  申请人：Dowle D. Michael

  公开号：US20070293564A1

  公开（公告）日：2007-12-20

  A method for the prevention of an orthomyxovirus or paramyxovirus infection comprising the step of administration to a subject in need thereof of an effective amount of a compound of formula (I)

  一种预防正黏病毒或副黏病毒感染的方法，包括向需要的受试者注射有效量的化合物(I)。
• DIMERIC COMPOUNDS AND THEIR USE AS ANTI-VIRAL AGENTS
  申请人：DEMAINE A. Derek

  公开号：US20070225359A1

  公开（公告）日：2007-09-27

  The invention relates to compounds of general formula (I); in which R is an amino or guanidino group; R 2 is acetyl or trifluoroacetyl; and n is an integer from 10 to 18 or a pharmaceutically acceptable derivative thereof, methods for their preparation, pharmaceutical formulations containing them or their use in the prevention or treatment of a viral infection.