4-di-[(2-picolyl)amino]-7-nitrobenzoxa[1,3]diazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶二唑类
• 英文名称: 4-di-[(2-picolyl)amino]-7-nitrobenzoxa[1,3]diazole
• 英文别名: 7-nitro-N,N-bis(pyridin-2-ylmethyl)benzo[c][1,2,5]oxadiazol-4-amine；4-nitro-N,N-bis(pyridin-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine
• 化学式: C₁₈H₁₄N₆O₃
• 分子量: 362.348
• InChiKey: PKHFTYXSAOQYHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-di-[(2-picolyl)amino]-7-nitrobenzoxa[1,3]diazole 、 五羰基溴化锰(I) 、 silver trifluoromethanesulfonate 以 丙酮 为溶剂， 反应 3.0h， 以60%的产率得到
  参考文献：
  名称：

  Visible light-activated biocompatible photo-CORM for CO-release with colorimetric and fluorometric dual turn-on response

  摘要：

  We introduce a colorimetric as well as fluorometric dual response CO-releasing molecule as Mn(I) tricarbonyl complex with a nitrobenzoxadiazole (NBD) fluorophore. DFT and TD-DFT studies corroborate that extended conjugation in the principal ligand frame will help to release CO at low energy radiation. A very low toxicity of NBD-CORM was observed against LX-2 and HepaRG (R) human cell lines. (C) 2019 Published by Elsevier Ltd.

  DOI：

  10.1016/j.poly.2019.04.031
• 作为产物：
  描述：

  二甲基吡啶胺 、 4-氯-7-硝基苯并-2-氧杂-1,3-二唑 以 乙酸乙酯 为溶剂， 反应 3.0h， 以82%的产率得到4-di-[(2-picolyl)amino]-7-nitrobenzoxa[1,3]diazole
  参考文献：
  名称：

  A two-dimensional chromogenic sensor as well as fluorescence inverter: selective detection of copper(ii) in aqueous medium

  摘要：

  我们合成了一种新的发色性传感器 (1)，在生理 pH 值下，当有 Cu2+ 离子存在时，该传感器会同时显示吸收最大值的蓝移和强度下降，并选择性地淬灭荧光。

  DOI：

  10.1039/b504823k

文献信息

• An NBD fluorophore-based sensitive and selective fluorescent probe for zinc ion
  作者：Wei Jiang、Qingquan Fu、Hongyou Fan、Wei Wang

  DOI：10.1039/b712377a

  日期：——

  A novel NBD-derived fluorescent probe for Zn2+ is described; the probe features ready availability, good water solubility, high sensitivity and selectivity, and ability to quantify the concentration of Zn2+.

  描述了一种新型NBD衍生的荧光探针用于Zn2+；该探针具有易于获取、良好的水溶性、高灵敏度和选择性，以及定量Zn2+浓度的能力。
• A two-dimensional chromogenic sensor as well as fluorescence inverter: selective detection of copper(ii) in aqueous medium
  作者：Sandip Banthia、Anunay Samanta

  DOI：10.1039/b504823k

  日期：——

  A new chromogenic sensor (1) has been synthesized that shows simultaneous blue shift and intensity loss of the absorption maximum as well as quenching of fluorescence, selectively, in the presence of Cu2+ ions at physiological pH.

  我们合成了一种新的发色性传感器 (1)，在生理 pH 值下，当有 Cu2+ 离子存在时，该传感器会同时显示吸收最大值的蓝移和强度下降，并选择性地淬灭荧光。
• Visible light-activated biocompatible photo-CORM for CO-release with colorimetric and fluorometric dual turn-on response
  作者：Jingjing Liu、Patrick Hoffmann、Johannes Steinmetzer、Sven H.C. Askes、Stephan Kupfer、Helmar Görls、Stefanie Gräfe、Ute Neugebauer、Upendar Reddy Gandra、Alexander Schiller

  DOI：10.1016/j.poly.2019.04.031

  日期：2019.11

  We introduce a colorimetric as well as fluorometric dual response CO-releasing molecule as Mn(I) tricarbonyl complex with a nitrobenzoxadiazole (NBD) fluorophore. DFT and TD-DFT studies corroborate that extended conjugation in the principal ligand frame will help to release CO at low energy radiation. A very low toxicity of NBD-CORM was observed against LX-2 and HepaRG (R) human cell lines. (C) 2019 Published by Elsevier Ltd.