3,6,6,9-四甲基-4,8-二氮杂-3,8-十一碳二烯-2,10-二酮二肟 | 100551-64-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3,6,6,9-四甲基-4,8-二氮杂-3,8-十一碳二烯-2,10-二酮二肟
• 英文名称: 3,6,6,9-tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioxime
• 英文别名: (DOH)2Me2Pn
• CAS: 100551-64-2
• 化学式: C₁₃H₂₄N₄O₂
• 分子量: 268.359
• InChiKey: HWFWCXKVRJCSOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.63
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  89.9
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3,6,6,9-四甲基-4,8-二氮杂-3,8-十一碳二烯-2,10-二酮二肟 以30%的产率得到D,L-4,8-diaza-3,6,6,9-tetramethylundecane-2,10-dione dioxime
  参考文献：
  名称：

  Assessment of radiation-induced DNA damage caused by the incorporation of -radiopharmaceuticals in murine lymphocytes using single cell gel electrophoresis

  摘要：

  The DNA damage induced by the Tc-99m-radiopharmaceuticals incorporation to the cell was determined by the single-cell gel electrophoresis in murine lymphocytes in vitro. The Tc-99m-hexamethyl-propylene amine oxime (Tc-99m-HMPAO) and Tc-99m-2,5-dihydroxybenzoic acid (Tc-99m-gentisic acid) induced nearly 100% of cells with breaks and/or alkali labile sites, which is explained by the action of the Auger electrons produced by the decay of the Tc-99m. These results agree with the doses of 1.6 and 1.0 Gy estimated by subcellular dosimetry for Tc-99m-HMPAO that is incorporated in the cytoplasm, and the Tc-99m-gentisic acid, which remains bonded to the cell membrane, respectively. The results imply that Auger electrons are able to cause important DNA damage, when the radionuclide is incorporated in the range of a few microns from the nuclei. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1383-5718(99)00221-1
• 作为产物：
  描述：

  二甲基丙二胺 、 2,3-丁二酮,单肟,(E)- 生成 3,6,6,9-四甲基-4,8-二氮杂-3,8-十一碳二烯-2,10-二酮二肟
  参考文献：
  名称：

  Assessment of radiation-induced DNA damage caused by the incorporation of -radiopharmaceuticals in murine lymphocytes using single cell gel electrophoresis

  摘要：

  The DNA damage induced by the Tc-99m-radiopharmaceuticals incorporation to the cell was determined by the single-cell gel electrophoresis in murine lymphocytes in vitro. The Tc-99m-hexamethyl-propylene amine oxime (Tc-99m-HMPAO) and Tc-99m-2,5-dihydroxybenzoic acid (Tc-99m-gentisic acid) induced nearly 100% of cells with breaks and/or alkali labile sites, which is explained by the action of the Auger electrons produced by the decay of the Tc-99m. These results agree with the doses of 1.6 and 1.0 Gy estimated by subcellular dosimetry for Tc-99m-HMPAO that is incorporated in the cytoplasm, and the Tc-99m-gentisic acid, which remains bonded to the cell membrane, respectively. The results imply that Auger electrons are able to cause important DNA damage, when the radionuclide is incorporated in the range of a few microns from the nuclei. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1383-5718(99)00221-1

文献信息

• An Efficient One-Pot Method for the Large-Quantitative Production of Radiopharmaceutical Ligand: Diazadioximes.
  作者：Hueisch-Jy DING、Ying-Fong HUANG、Cherng-Chyi TZENG、Si-Jung YEH、Li-Lan WEI

  DOI：10.1248/cpb.48.288

  日期：——

  An efficient one-pot procedure for the preparation of diazadioxime was described. Treatment of ketooximes with alkyldiamine followed by NaBH4 by in dry ethanol afforded the correspponding d, l-diazadioximes in 56-74% yield without isolation of the intermediates.

  该研究描述了一种高效的一锅法制备二氮杂二噁肟。在干燥的乙醇中用烷基二胺处理酮肟，然后用 NaBH4 处理，可得到相应的 d，l-二氮杂肟，收率为 56-74%，且无需分离中间产物。
• New zinc(II) N4 tetradentate Schiff base complex: A potential cytotoxic metallodrug and simple precursor for the preparation of ZnO nanoparticles
  作者：Somaye Shahraki、Ali Heydari

  DOI：10.1016/j.colsurfb.2017.10.026

  日期：2017.12

  and thermodynamic parameters were calculated and showed that the Zn(II) complex binds to HSA through hydrogen bond and Vander Waals interactions with one binding site. Protein-ligand docking analysis confirmed that the Zn(II) complex binds to residues located in the subdomain IIA of HSA. This Zn(II) complex was used for the preparation of ZnO nanoparticles, and their photocatalytic activities were examined

  利用四齿席夫碱配体合成了新型席夫碱Zn（II）配合物并对其进行了表征。细胞毒性测定的结果表明，所制备的复合物在乳腺癌细胞系中诱导了细胞毒性。因此，使用光谱和分子对接方法研究了Zn（II）复合物与人血清白蛋白（HSA）的结合。荧光数据表明，Zn（II）配合物通过静态猝灭机制猝灭了蛋白质荧光。计算了结合常数（Kb），结合位点数（n）和热力学参数，结果表明Zn（II）配合物通过氢键和范德华力与一个结合位点的相互作用与HSA结合。蛋白质-配体对接分析证实Zn（II）复合物与位于HSA亚结构域IIA中的残基结合。该Zn（II）配合物用于制备ZnO纳米粒子，在无紫外可见光照射下，通过光催化降解溴化乙锭（EBr）来检查其光催化活性。结果表明，这些纳米粒子是有前途的光催化降解材料。
• Yohannes, Paulos G.; Bresciani-Pahor, Nevenka; Randaccio, Lucio, Inorganic Chemistry, 1988, vol. 27, # 26, p. 4738 - 4744
  作者：Yohannes, Paulos G.、Bresciani-Pahor, Nevenka、Randaccio, Lucio、Zangrando, Ennio、Marzilli, Luigi G.

  DOI：——

  日期：——
• [3,9-Dimethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1–)](thiocyanato)copper(II) and [3,6,6,9-Tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1–)](isothiocyanato)copper(II)
  作者：T. H. Tahirov、T. H. Lu、H. Luh、C. Y. Lai、C. S. Chung

  DOI：10.1107/s0108270194012898

  日期：1995.5.15

  The coordination geometries about the Cu-II ions in both [3,9-dimethyl-4,8 -diaza-3,8-undecadiene-2,10-dione dioximato(1 -)](thiocyanato)copper(II), [Cu(C-11-H19N4O2)(SCN)] (1) and [3,6,6,9-tetramethyl-4,8 -diaza-3,8-undecadiene-2,10-dione dioximato(1 -)](isothiocyanato)copper(II), [CU(C13H23N4O2)(NCS)] (2), are distorted square pyramidal with the four diazadioxime N atoms in equatorial positions and the monodentate ligand axial. This monodentate axial ligand is an S-bonded thiocyanato group in complex (1) and an N-bonded isothiocyanato group in (2). The intramolecular O O hydrogen-bond lengths are 2.530(4) and 2.490(2) Angstrom in complexes (1) and (2), respectively.
• Lu, Tian-Huey; Tseng, Fouriers; Luh, Hung, Acta Crystallographica, Section C: Crystal Structure Communications, 1993, vol. 49, p. 666 - 668
  作者：Lu, Tian-Huey、Tseng, Fouriers、Luh, Hung、Chung, Chung-Sun

  DOI：——

  日期：——