Ir(2-phenylpyridine(1-))2(5-amino-1,10-phenanthroline)(1+) | 383413-31-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Ir(2-phenylpyridine(1-))2(5-amino-1,10-phenanthroline)(1+)
• CAS: 383413-31-8
• 化学式: C₃₄H₂₅IrN₅
• 分子量: 695.826
• InChiKey: LMFMVAZTWFMZRC-UHFFFAOYSA-N

反应信息

• 作为产物：
  描述：

  2-苯基吡啶 以 乙二醇甲醚 、 水 、 二甲基亚砜 为溶剂， 反应 6.17h， 生成 Ir(2-phenylpyridine(1-))2(5-amino-1,10-phenanthroline)(1+)
  参考文献：
  名称：

  A Semi‐Automated, High‐Throughput Approach for the Synthesis and Identification of Highly Photo‐Cytotoxic Iridium Complexes

  摘要：

  The discovery of new compounds with pharmacological properties is usually a lengthy, laborious and expensive process. Thus, there is increasing interest in developing workflows that allow for the rapid synthesis and evaluation of libraries of compounds with the aim of identifying leads for further drug development. Herein, we apply combinatorial synthesis to build a library of 90 iridium(III) complexes (81 of which are new) over two synthesise‐and‐test cycles, with the aim of identifying potential agents for photodynamic therapy. We demonstrate the power of this approach by identifying highly active complexes that are well‐tolerated in the dark but display very low nM phototoxicity against cancer cells. To build a detailed structure–activity relationship for this class of compounds we have used density functional theory (DFT) calculations to determine some key electronic parameters and study correlations with the experimental data. Finally, we present an optimised semi‐automated synthesise‐and‐test protocol to obtain multiplex data within 72 hours.

  DOI：

  10.1002/anie.202401808