N,N'-bis(4-methylbenzothiazol-2-yl)-2,2'-bipyridine-4,4'-dicarboxamide | 1452772-86-9

• 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: N,N'-bis(4-methylbenzothiazol-2-yl)-2,2'-bipyridine-4,4'-dicarboxamide
• 英文别名: N,N'-bis-(4-methyl-benzothiazol-2-yl)-2,2'-bipyridine-4,4'-dicarboxyamide；N-(4-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyridin-2-yl]pyridine-4-carboxamide
• CAS: 1452772-86-9
• 化学式: C₂₈H₂₀N₆O₂S₂
• 分子量: 536.638
• InChiKey: YKEZFZUBQHCOBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  166
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Ru(phen)₂Cl₂ 、 ammonium hexafluorophosphate 、 N,N'-bis(4-methylbenzothiazol-2-yl)-2,2'-bipyridine-4,4'-dicarboxamide 以 乙二醇 、 四氢呋喃 为溶剂， 反应 13.0h， 以47%的产率得到[bis(1,10-phenanthroline) (N,N'-bis-(4-methyl-benzothiazol-2-yl)-2,2'-bipyridine-4,4'-dicarboxyamide)] ruthenium (II) dihexafluorophosphate
  参考文献：
  名称：

  A Single Molecular Light-up Sensor for Quantification of Hg²⁺ and Ag⁺ in Aqueous Medium: High Selectivity toward Hg²⁺ over Ag⁺ in a Mixture

  摘要：

  A bis-heteroleptic Ru(II) complex (1) is presented that acts as a single molecular dual analyte sensor and quantifies Hg2+ and Ag+ by luminescence at two different wavelengths. The sensor has stronger binding to Hg2+ than to its likely competitor Ag+ allowing quantification of Hg2+ in a sample with Ag+ without a masking agent. 1 also selectively senses Ag+ in the absence of Hg2+ by enhancing the PL intensity at a different wavelength.

  DOI：

  10.1021/ol401970n
• 作为产物：
  描述：

  2,2'-联吡啶-4,4'-二甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 36.0h， 生成 N,N'-bis(4-methylbenzothiazol-2-yl)-2,2'-bipyridine-4,4'-dicarboxamide
  参考文献：
  名称：

  用于 RNase H 活性检测的基于钌 (II) 复合物的 G-四链体 DNA 选择性发光“点亮”探针

  摘要：

  已开发出一种基于 双杂配钌 (II) 复合物的高选择性光致发光“关-开”探针，用于 G-四链体 DNA，并用于选择性 RNase H 活性检测。PL 点亮完全是由于在 GQ-DNA 存在下苯并噻唑酰胺侧臂的刚性化。分子对接分析支持探针和 GQ-DNA 之间的相互作用。

  DOI：

  10.1002/cbic.202100229

文献信息

• A Single Molecular Light-up Sensor for Quantification of Hg²⁺ and Ag⁺ in Aqueous Medium: High Selectivity toward Hg²⁺ over Ag⁺ in a Mixture
  作者：Snehadrinarayan Khatua、Michael Schmittel

  DOI：10.1021/ol401970n

  日期：2013.9.6

  A bis-heteroleptic Ru(II) complex (1) is presented that acts as a single molecular dual analyte sensor and quantifies Hg2+ and Ag+ by luminescence at two different wavelengths. The sensor has stronger binding to Hg2+ than to its likely competitor Ag+ allowing quantification of Hg2+ in a sample with Ag+ without a masking agent. 1 also selectively senses Ag+ in the absence of Hg2+ by enhancing the PL intensity at a different wavelength.
• Ruthenium(II) Complex‐Based G‐quadruplex DNA Selective Luminescent ‘Light‐up’ Probe for RNase H Activity Detection
  作者：Sanjoy Kumar Sheet、Monosh Rabha、Bhaskar Sen、Sumit Kumar Patra、Kripamoy Aguan、Snehadrinarayan Khatua

  DOI：10.1002/cbic.202100229

  日期：2021.10

  bis-heteroleptic ruthenium(II) complex-based, highly selective photoluminescent ‘off-on’ probe for G-quadruplex DNA has been developed and utilized for selective RNase H activity detection. The PL light-up is solely due to the rigidification of the benzothiazole amide sidearm in the presence of GQ-DNA. The interaction between the probe and GQ-DNA was supported by molecular docking analysis.

  已开发出一种基于 双杂配钌 (II) 复合物的高选择性光致发光“关-开”探针，用于 G-四链体 DNA，并用于选择性 RNase H 活性检测。PL 点亮完全是由于在 GQ-DNA 存在下苯并噻唑酰胺侧臂的刚性化。分子对接分析支持探针和 GQ-DNA 之间的相互作用。