(1-methyl-1H-imidazol-2-ylmethyl)(pyrid-2-ylethyl)amine | 1006033-44-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1-methyl-1H-imidazol-2-ylmethyl)(pyrid-2-ylethyl)amine
• 英文别名: (2-(pyridyl-2-yl)ethyl)((1-methyl-1H-imidazol-2-yl)methyl)amine；(1-methyl-1H-imidazol-2-ylmethyl)-(2-pyridin-2-yl-ethyl)amine；(N-((1-methyl-1Himidazole-2yl-)methyl)-2-(pyridine-2-yl)ethanamine)；N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-ylethanamine
• CAS: 1006033-44-8
• 化学式: C₁₂H₁₆N₄
• mdl: MFCD11102590
• 分子量: 216.286
• InChiKey: ADFJRLLVFLFICF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  42.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1-methyl-1H-imidazol-2-ylmethyl)(pyrid-2-ylethyl)amine 、 丹酰氯 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 5.0h， 以70%的产率得到5-(dimethylamino)-N-((1-methyl-1H-imidazol-2-yl)methyl)-N-(2-(pyridin-2-yl)ethyl)naphthalene-1-sulfonamide
  参考文献：
  名称：

  使用铜（II）配合物基于荧光的水和甲醇介质中一氧化氮的检测。

  摘要：

  发现在脱气的甲醇或水溶液（缓冲于pH 7.2）中，荧光配体的铜（II）配合物1的猝灭荧光强度在暴露于一氧化氮时会重新出现。因此，它可以用作基于荧光的一氧化氮传感器。已经发现本发明的配合物可用于检测甲醇和pH 7.2缓冲水介质中的纳摩尔量的一氧化氮。

  DOI：

  10.1039/c0cc04054a
• 作为产物：
  描述：

  2-(2-氨乙基)吡啶 在 甲醇 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 5.0h， 生成 (1-methyl-1H-imidazol-2-ylmethyl)(pyrid-2-ylethyl)amine
  参考文献：
  名称：

  铜配合物作为溶胞多糖单加氧酶的生物启发模型。

  摘要：

  我们在这里报告两个铜配合物，作为溶解性多糖单加氧酶（参与顽固性多糖分解的单核含铜酶）的第一个功能模型。这些复合物具有类似于酶的结构和光谱性质。另外，它们催化模型底物对-硝基苯基-β- d-吡喃葡萄糖苷的氧化裂解。更重要的是，在反应条件下检测到特别稳定的氢过氧化铜（II）中间体。

  DOI：

  10.1021/acs.inorgchem.6b02165

文献信息

• [EN] SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS<br/>[FR] DÉRIVÉS DE SORDARINE POUR PRÉVENIR OU TRAITER DES MALADIES INFECTIEUSES CAUSÉES PAR DES MICRO-ORGANISMES PATHOGÈNES
  申请人：ASTELLAS PHARMA INC

  公开号：WO2009131246A1

  公开（公告）日：2009-10-29

  This invention relates to a new sordarin derivative or a pharmaceutically acceptable salt thereof, which has antimicrobial activities (especially, antifungal activities), to process for preparation thereof, to a pharmaceutical composition comprising the same, and to a method for prophylactic and/or therapeutic treatment of infectious diseases in a human being or an animal.

  这项发明涉及一种新的索达林衍生物或其药用可接受的盐，该衍生物具有抗菌活性（特别是抗真菌活性），其制备方法，包含该衍生物的药物组合物，以及用于预防或治疗人类或动物传染性疾病的方法。
• Biomimetic iron(iii) complexes of facially and meridionally coordinating tridentate 3N ligands: tuning of regioselective extradiol dioxygenase activity in organized assemblies
  作者：Muniyandi Sankaralingam、Natarajan Saravanan、Natarajan Anitha、Eringathodi Suresh、Mallayan Palaniandavar

  DOI：10.1039/c3dt52350k

  日期：——

  lower amount (18.3%) of the intradiol cleavage products (E/I, 3 : 1). Remarkably, in aqueous SDS micellar media, it shows exclusive extradiol cleavage products (79.4%) while all the other complexes show very low selectivity (E/I: 1, 0.03 : 1; 2, 79.4 : 0, 3, 0.06 : 1, 4, 0.06 : 1), suggesting the suitability of SDS medium for 2 to elicit exclusive extradiol cleavage. The TX-100 micellar medium also provides

  四种类型为[Fe（L）Cl 3 ] 1-4的单核铁（III）配合物，其中L是三齿3N配体，例如（2-吡啶-2-基乙基）（吡啶-2-基甲基）胺（L1），（甲基）（2-吡啶-2-基乙基）（吡啶-2-基甲基）胺（L2），双（吡啶-2-基乙基）胺（L3）和（1-甲基-1 H-咪唑-已经分离出2-基甲基）（吡啶-2-基乙基）胺（L4）并作为儿茶酚双加氧酶的功能模型进行了研究。在[Fe（L2）Cl 3 ] 2中，配体L2在表面上与铁（III）配位，而在[Fe（L1）Cl 3 ] 1中与[Fe（L4）Cl 3 ] 4配体L1和L4在子午方向上配位。在DCM，CH 3 CN和SDS水溶液，CTAB和TX-100胶束介质中，观察到低能和高能儿茶酚酸铁（III）LMCT谱带（465-530、690-860 nm）的位置。铁（III）配合物的3,4-二叔丁基儿茶酚酯（DBC 2−）加合物的变化顺序为2 > 1 >
• Reduction of copper(ii) complexes of tridentate ligands by nitric oxide and fluorescent detection of NO in methanol and water media
  作者：Pankaj Kumar、Apurba Kalita、Biplab Mondal

  DOI：10.1039/c1dt10773a

  日期：——

  to paramagnetic quenching, does not display any fluorescence; however, on addition of nitric oxide to a methanol or water solution of complex 4, the fluorescence intensity of the fluorophore has been found to be restored. This is attributed to the reduction of the Cu(II) center by nitric oxide to diamagnetic Cu(I). The turn-on of quenched fluorescence intensity has been observed both in methanol and

  具有三齿N供体配体L 1和L 2的两个铜络合物1和2 [ L 1 =（1-甲基-1 H-咪唑-2-基甲基）-（2-吡啶-2-基乙基）胺，L 2 =（2-吡啶-2-基-乙基）-吡啶-2基-甲胺分别被合成和表征。暴露于一氧化氮后，发现配合物1和2中的铜（II）中心在各种溶剂中均会还原。在乙腈溶剂的还原伴随着在配体骨架上仲胺中心的同时N-亚硝化。分别用配体L 3和L 4制备配合物3和4。L 3和L 4 [ L 3＝ 5-二甲基氨基萘-1-磺酸（1-甲基-1 H-咪唑-2-基甲基）-（2-吡啶-2-基乙基）-酰胺；L 4＝ 5-二甲基氨基萘-1-磺酸（2-吡啶-2-基-乙基）-吡啶-2-基甲基-酰胺]是L 1和L 2的丹磺酰基衍生物。， 分别。由于顺磁性淬灭，配合物4不显示任何荧光。然而，发现将一氧化氮加入到配合物4的甲醇或水溶液中时，荧光团的荧光强度得以恢复。这归因于一氧化氮将Cu（II）中心还
• DNA binding, nuclease activity and cytotoxicity studies of Cu(ii) complexes of tridentate ligands
  作者：Pankaj Kumar、Sukhamoy Gorai、Manas Kumar Santra、Biplab Mondal、Debasis Manna

  DOI：10.1039/c2dt30232b

  日期：——

  Cu(II) complexes of three tridentate ligands, L1, L2 and L3,[ L1, N-((1H-imidazole-2-yl)methyl)-2-(pyridine-2-yl)ethanamine; L2, N-((1-methyl-1H-imidazole-2-yl)methyl)-2-(pyridine-2-yl)ethanamine; L3, 2-(pyridine-2-yl)-N-((pyridine-2-yl)methyl)ethanamine] respectively, were synthesized and characterized. The single crystal X-ray structure of complex 1 reveals the pseudo octahedral coordination geometry around the copper center. Absorption and fluorescence experimental evidence show good DNA binding propensity (in the order of 105 M−1) of the complexes. Thermal denaturation and circular dichroism (CD) analyses reveal minor structural changes of calf thymus (CT) DNA in presence of complexes and groove and/or surface binding of the complexes to CT-DNA. Kinetic DNA cleavage assay shows pseudo-first-order kinetic reaction between the complex and supercoiled (SC) DNA. In addition, mechanistic SC DNA cleavage results show higher DNA cleavage activity in presence of reducing agent, due to the presence of hydroxyl radicals. In vitro cytotoxicity assay of the complexes demonstrate that the complexes have low toxicity for different cancer cell lines and IC50 values were between 37 and 156 μM.

  L1，N-((1-甲基-1H-咪唑-2-基)甲基)-2-(吡啶-2-基)乙胺；L2，N-((1-甲基-1H-咪唑-2-基)甲基)-2-(吡啶-2-基)乙胺；L3，2-(吡啶-2-基)-N-((吡啶-2-基)甲基)乙胺]。络合物 1 的单晶 X 射线结构显示出围绕铜中心的假八面体配位几何。吸收和荧光实验证据表明，复合物具有良好的 DNA 结合倾向（约为 105 M-1）。热变性和圆二色性（CD）分析表明，小牛胸腺（CT）DNA 在复合物的存在下发生了微小的结构变化，复合物与 CT-DNA 的沟槽和/或表面结合。动力学 DNA 裂解测定显示，复合物与超卷曲（SC）DNA 之间发生了伪一阶动力学反应。此外，SC DNA 的机理裂解结果表明，在存在还原剂的情况下，由于羟基自由基的存在，DNA 的裂解活性更高。复合物的体外细胞毒性实验表明，复合物对不同的癌细胞株毒性较低，IC50 值介于 37 和 156 μM 之间。
• Catalytic promiscuity of mononuclear copper(II) complexes in mild conditions: Catechol and cyclohexane oxidations
  作者：Francine T. Ferre、Jackson A.L.C. Resende、Juliana Schultz、Antonio S. Mangrich、Roberto B. Faria、Alexandre B. Rocha、Marciela Scarpellini

  DOI：10.1016/j.poly.2016.11.045

  日期：2017.2

  Two copper(II) mononuclear complexes were synthesized and investigated as promiscuous oxidative catalysts: [Cu(pymimi)Cl-2]: [(2-(pyridyl-2-yl)ethyl)((1-methylimidazol-2-yl)methypiminel(bischlorido)-copper(II), C1, and [Cu(pymima)Cl-2]: [(2-(pyridyl-2-yl)ethyl)((1-methylimidazol-2-yl)methyl)amine] (bischlorido)copper(II), C2. Both complexes were characterized by the following techniques: X-ray crystallography, decomposition point, elemental analysis, IR, UV-Vis and EPR spectroscopies, conductimetric analysis and electrochemistry. DFI' calculations at the B3LYP level were carried out to corroborate structural, vibrational and spin Hamiltonian parameters (g(x), g(y) and g(z)). TDDFT electronic spectra were calculated at CAMB3LYP level. Cyclohexane peroxidation promoted by C1 and C2 yielded the following overall conversions/turnover numbers: 48%/531 s(-1) and 46%/508 s(-1), respectively. Both complexes also catalyze the conversion of 3,5-di-tert-butylcatechol (3,5-DTBC) to 3,5-di-tert-but1lquinone (3,5-DTBQ) with turnover numbers of 6.0 x 10(-2) s(-1) for Cl and 11.0 x 10(-2) s(-1) for C2. Complexes Cl and C2 can be classified as substrate promiscuous catalysts due to their ability to promote the oxidation of two different substrates, in the presence of distinct oxidants (O-2, for catechol and H2O2 for cyclohexane). (C) 2016 Elsevier Ltd. All rights reserved.