10-(4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-10H-phenothiazine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 10-(4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-10H-phenothiazine
• 英文别名: 10-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine
• 化学式: C₃₃H₂₂N₄S
• 分子量: 506.63
• InChiKey: CZMVSIHDUXTPER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  10-(4-溴苯基)吩噻嗪 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 正己烷 、 水 为溶剂， 反应 33.0h， 生成 10-(4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-10H-phenothiazine
  参考文献：
  名称：

  The azatryptophan-based fluorescent platform for in vitro rapid screening of inhibitors disrupting IKKβ-NEMO interaction

  摘要：

  The nuclear factor-kappa B (NF-kappa B) plays an important role in inflammatory and immune responses. Aberrant NF-kappa B signaling is implicated in multiple disorders, including cancer. Targeting the regulatory scaffold subunit I kappa B kinase gamma (IKK gamma/NEMO) as therapeutic interventions could be promising due to its specific involvement in canonical NF-kappa B activation without interfering with non-canonical signaling. In this study, the use of unnatural amino acid substituted IKK beta with unique photophysical activity to sense water environment changes upon interaction with NEMO provides a powerful in vitro screening platform that would greatly facilitate the identification of compounds having the potential to disrupt IKK beta-NEMO interaction, and thus specifically modulate the canonical NF-kappa B pathway. We then utilized a competitive binding platform to screen the binding ability of a number of potential molecules being synthesized. Our results suggest that a lead compound (-)-PDC-099 is a potent agent with ascertained potency to disrupt IKK beta-NEMO complex for modulating NF-kappa B canonical pathway.

  DOI：

  10.1016/j.bioorg.2018.09.006

文献信息

• COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING ELEMENT
  申请人：Kyushu University, National University Corporation

  公开号：EP2808323A1

  公开（公告）日：2014-12-03

  A compound represented by the general formula (1) is useful as a light-emitting material. In the general formula (1), Ar1 to Ar3 represent an aryl group, provided that at least one thereof represents an aryl group substituted by a group represented by the general formula (2). In the general formula (2), R1 to R8 represent a hydrogen atom or a substituent; Z represents O, S, O=C or Ar4-N; and Ar4 represents an aryl group.

  通式（1）所代表的化合物作为发光材料是有用的。在通式（1）中，Ar1至Ar3代表芳基，前提是其中至少一个代表被通式（2）所代表的基团取代的芳基。在通式（2）中，R1至R8代表氢原子或取代基；Z代表O、S、O=C或Ar4-N；Ar4代表芳基。
• ORGANIC ELECTROLUMINESCENCE DEVICE
  申请人：SAMSUNG DISPLAY CO., LTD.

  公开号：US20180205019A1

  公开（公告）日：2018-07-19

  An organic electroluminescence device including a first electrode, a hole transport region on the first electrode, an emission layer on the hole transport region, an electron transport region on the emission layer, and a second electrode on the electron transport region, wherein the hole transport region includes a first heterocyclic compound including 1 to 3 structures derived from a compound represented by Formula 1 below, and the emission layer includes a second heterocyclic compound including 1 or 2 structures derived from a compound represented by Formula 1.

  一种有机电致发光器件，包括第一电极、设置在第一电极上的空穴传输区域、设置在空穴传输区域上的发射层、设置在发射层上的电子传输区域，以及设置在电子传输区域上的第二电极，其中空穴传输区域包括第一杂环化合物，该化合物包括根据下面的化合物1表示的化合物衍生的1到3个结构，发射层包括第二杂环化合物，该化合物包括根据化合物1表示的化合物衍生的1或2个结构。
• ORGANIC LIGHTEMITTING COMPOUND HAVING PHOSPHORESCENT CHARACTERISTIC AT ROOM TEMPERATURE, AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DEVICE INCLUDING THE ORGANIC LIGHTEMITTING COMPOUND
  申请人：Research & Business Foundation Sungkyunkwan University

  公开号：US20190305228A1

  公开（公告）日：2019-10-03

  Disclosed is an organic light-emitting compound having a phosphorescent characteristic at room temperature and a phosphorescent organic light-emitting device containing the same. The organic light-emitting compound includes a compound represented by a following Chemical Formula 1:

  揭示了一种具有室温磷光特性的有机发光化合物，以及包含该化合物的磷光有机发光器件。该有机发光化合物包括以下化学式1所代表的化合物：
• COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING DEVICE
  申请人：KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION

  公开号：US20150041784A1

  公开（公告）日：2015-02-12

  A compound represented by the general formula (1) is useful as a light-emitting material. In the general formula (1), Ar 1 to Ar 3 represent an aryl group, provided that at least one thereof represents an aryl group substituted by a group represented by the general formula (2). In the general formula (2), R 1 to R 8 represent a hydrogen atom or a substituent; Z represents O, S, O═C or Ar 4 —N; and Ar 4 represents an aryl group.

  通式（1）所表示的化合物可用作发光材料。在通式（1）中，Ar1至Ar3表示芳基基团，但至少其中一个表示被通式（2）所表示的基团取代的芳基基团。在通式（2）中，R1至R8表示氢原子或取代基；Z表示O、S、O═C或Ar4—N；而Ar4表示芳基基团。
• High Exciton Utilization of 1D Molecular Column with High Packing Energy Formed by Folded π-Molecules
  作者：Shidang Xu、Bin Liu

  DOI：10.1021/jacs.2c06838

  日期：2022.10.5

  on a “folded π” formula, 12 compounds with two or three folding π planes were designed and synthesized. We found that folded π molecules tend to form well-aligned 1D molecular columns of patterns (“box”, “braid”, or “stair”) with high packing energy, which is mainly contributed by numerous weak π interactions. As a result of effective suppression of molecular motion, all the compounds show very high

  π-分子在许多应用中发挥着重要作用，例如有机发光器件、光催化、光伏、生物传感器和医学。很多时候，在固态中具有高激发态利用率的π共轭分子具有很大的研究兴趣。然而，由于分子结构和有效分子堆积之间的差距，很少有针对在固态下具有很高激子利用率的π分子的设计。在这里，我们报告了一种新的 π 骨架，折叠 π，以实现固态的高激子利用率。基于“折叠 π”公式，设计并合成了 12 种具有两个或三个折叠 π 平面的化合物。我们发现折叠的 π 分子倾向于形成排列良好的 1D 分子柱状图案（“盒子”、“编织”或“阶梯”），具有高堆积能量，这主要是由许多弱 π 相互作用造成的。由于有效抑制了分子​​运动，所有化合物在固体中都表现出非常高的激子利用率。