4-(4-carboxybutyl)-4'-methyl-2,2'-bipyridine | 398143-17-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(4-carboxybutyl)-4'-methyl-2,2'-bipyridine
• 英文别名: 5-[2-(4-Methylpyridin-2-yl)pyridin-4-yl]pentanoic acid
• CAS: 398143-17-4
• 化学式: C₁₆H₁₈N₂O₂
• 分子量: 270.331
• InChiKey: UJTBFQAACAOXBY-UHFFFAOYSA-N

物化性质

• 沸点：
  479.0±45.0 °C(Predicted)
• 密度：
  1.153±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-carboxybutyl)-4'-methyl-2,2'-bipyridine 、 N-[4-(3-氨基苯基)-2-噻唑基]乙酰胺 在 4-二甲氨基吡啶 、 N-羟基-7-氮杂苯并三氮唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 反应 12.0h， 生成
  参考文献：
  名称：

  多吡啶钌复合物作为双功能 TAR RNA 结合剂和 HIV-1 逆转录酶抑制剂

  摘要：

  1 型人类免疫缺陷病毒 (HIV-1) 逆转录酶抑制剂是抗 HIV 治疗的核心。它们的大多数目标是酶，而很少有可以与病毒 RNA 结合的目标。在这里，我们设计了四种新的多吡啶基 Ru(II) 复合物，它们可以通过氢键的分子识别紧密选择性地结合 HIV-1 TAR RNA，通过静电吸引进一步稳定 Ru(II)-RNA 结合系统，并有效抑制 Moloney鼠白血病病毒 (M-MuLV) 和 HIV-1 逆转录酶。多吡啶钌(II)配合物还具有物理和化学优势，包括高化学稳定性和光稳定性、对HIV TAR RNA的灵敏光谱响应以及对正常细胞的低毒性。

  DOI：

  10.1016/j.jinorgbio.2022.111880
• 作为产物：
  描述：

  在 盐酸 、 水 作用下， 反应 12.0h， 生成 4-(4-carboxybutyl)-4'-methyl-2,2'-bipyridine
  参考文献：
  名称：

  多吡啶钌复合物作为双功能 TAR RNA 结合剂和 HIV-1 逆转录酶抑制剂

  摘要：

  1 型人类免疫缺陷病毒 (HIV-1) 逆转录酶抑制剂是抗 HIV 治疗的核心。它们的大多数目标是酶，而很少有可以与病毒 RNA 结合的目标。在这里，我们设计了四种新的多吡啶基 Ru(II) 复合物，它们可以通过氢键的分子识别紧密选择性地结合 HIV-1 TAR RNA，通过静电吸引进一步稳定 Ru(II)-RNA 结合系统，并有效抑制 Moloney鼠白血病病毒 (M-MuLV) 和 HIV-1 逆转录酶。多吡啶钌(II)配合物还具有物理和化学优势，包括高化学稳定性和光稳定性、对HIV TAR RNA的灵敏光谱响应以及对正常细胞的低毒性。

  DOI：

  10.1016/j.jinorgbio.2022.111880

文献信息

• Electronically Neutral Metal Complexes As Biological Labels
  申请人：RUBIPY SCIENTIFIC, INC.

  公开号：US20160146826A1

  公开（公告）日：2016-05-26

  The invention relates to electronically neutral metal complexes as luminescent labels. The positive charge of the metal ion in the complex is neutralized by the negatively charged groups that are covalently linked to the nitrogen-containing diimine ligands, such as 2,2-bipyridine, 1,10-phenanthroline and their derivatives. The electronic neutrality reduces the impact of the metal complexes on the biological and/or biochemical activities of the labeled biomolecules, while the intensity of luminescent emission under electrochemical excitation is enhanced. These luminescent metal complex labels are useful in bioanalytic methodology development, with luminescence as the signal modality, such as electrochemiluminescence.

  该发明涉及作为发光标记的电子中性金属配合物。该配合物中金属离子的正电荷被共价连接到含氮双亚胺配体（如2,2-联吡啶，1,10-邻菲啰啉及其衍生物）上的带负电荷基团中和。电子中性减少了金属配合物对标记生物分子的生物和/或生化活性的影响，同时在电化学激发下增强了发光发射的强度。这些发光金属配合物标记在生物分析方法学的发展中非常有用，发光作为信号模态，如电化学发光。
• The Charge Conduction Properties of DNA Holliday Junctions Depend Critically on the Identity of the Tethered Photooxidant
  作者：Richard P. Fahlman、Rajendra D. Sharma、Dipankar Sen

  DOI：10.1021/ja020495n

  日期：2002.10.1

  The mechanism for electrical charge conduction in DNA has been the subject of much recent interest and debate. Many of the measurements of DNA conductivity have been made in aqueous solution, with an aromatic photooxidant moiety such as anthraquinone or a rhodium(III) complex covalently tethered to the DNA. Such studies, however, have given discrepant results, for instance, regarding the relative ability of AT- and GC-rich sequences to conduct charge and the possibility of thymine cyclobutane dimer repair through the DNA from a distance. A recent paper on conduction in DNA immobile four-way junctions using the rhodium photooxidant reported conduction in all four helical arms, contrary to what is known about the three-dimensional structure and stacking of 4-way junctions. We have reexamined conduction in such junctions using rhodium [Rh(phi)(2)(byp*)Cl-3] as well as the anthraquinone photooxidants, and find that although our rhodium data agree with the previously published work, the anthraquinone data reveal conduction in only two of the four helical arms, consistent with the known tertiary structure of four-way junctions. An electrophoretic investigation revealed the formation of intermolecular aggregates in the rhodium-derivatized junctions, but not in the anthraquinone-labeled junctions. Rhodium-specific aggregation was also observed with simple DNA duplexes under the same experimental conditions. A characteristic property of aggregation was that all participating DNA molecules required the rhodium derivatization, and underivatized molecules did not aggregate with the derivatized ones. It is conceivable that the results reported here will help reconcile the various discrepancies that have been reported from charge conduction experiments carried out on DNA utilizing different photooxidants.