4′-溴联苯-3-羧酸 | 885951-66-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4′-溴联苯-3-羧酸
• 中文别名: 4’-溴联苯-3-羧酸；3-(4-溴苯基)苯甲酸
• 英文名称: 4′-bromobiphenyl-3-carboxylic acid
• 英文别名: 4'-bromobiphenyl-3-carboxylic acid；4'-bromo-3-biphenylcarboxylic acid；4'-Bromo-biphenyl-3-carboxylic acid；3-(4-bromophenyl)benzoic acid
• CAS: 885951-66-6
• 化学式: C₁₃H₉BrO₂
• 分子量: 277.117
• InChiKey: IZEOXGJWZDXOEI-UHFFFAOYSA-N

物化性质

• 熔点：
  194-198°C
• 沸点：
  437.0±28.0 °C(Predicted)
• 密度：
  1.510±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• WGK Germany：
  3
• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  4′-溴联苯-3-羧酸 、 苯甲腈 在 氯化亚砜 、 氯化锑(V) 、 ammonium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以53%的产率得到2-(4'-bromobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine
  参考文献：
  名称：

  LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE

  摘要：

  提供一种含有具有高激发三重态能级的化合物的发光材料，特别是作为有机电致发光器件的材料，以实现高效率，同时利用该材料提供具有高效率和高亮度的有机电致发光器件。包含具有以下通用式（1）所代表的咔唑环结构的化合物的发光材料，以及包含一对电极和介于电极之间的至少一层或多层的有机电致发光器件，其中发光层作为其构成材料包含该发光材料。

  公开号：

  US20180047915A1

文献信息

• Synthesis and biological evaluation of crown ether acyl derivatives
  作者：Martín Febles、Sofía Montalvão、Guillermo Díaz Crespín、Manuel Norte、José M. Padrón、Päivi Tammela、José J. Fernández、Antonio Hernández Daranas

  DOI：10.1016/j.bmcl.2016.09.066

  日期：2016.11

  A set of crown ethyl acyl derivatives based on 18-crown-6 moiety was synthesized and evaluated for biological activity. In vitro antiproliferative profiling demonstrated significant activities against HBL-100, HeLa, SW1573 and WiDr human cell lines. The most active compound exhibited GI50 values in the range of 3.7-5.6μM. Antimicrobial evaluation showed that three polyaromatic compounds were active

  合成了一组基于18-crown-6部分的冠状乙基酰基衍生物，并评估了其生物活性。体外抗增殖谱显示对HBL-100，HeLa，SW1573和WiDr人类细胞系具有显着活性。活性最高的化合物的GI50值在3.7-5.6μM的范围内。抗菌评估显示，三种多芳族化合物对金黄色葡萄球菌有活性（MIC90值从8.3μM到50μM），而（癸氧基）苯取代对白念珠菌具有中等活性（MIC90值36μM）。根据SAR评价，冠醚和酰基侧链的大小对生物活性具有重要影响。接近酰基的芳族部分导致生物活性的改善，如一些受试化合物所示。
• Identification of SENP1 inhibitors through in silico screening and rational drug design
  作者：Yaxue Zhao、Zhongli Wang、Jianchen Zhang、Huchen Zhou

  DOI：10.1016/j.ejmech.2016.06.018

  日期：2016.10

  The small ubiquitin-related modifier (SUMO)-specific proteases (SENPs) catalyze the deconjugation of SUMO from their substrate proteins. SENP1 which is the most studied isoform is closely related to many cancers such as prostate cancer and colon cancer, thus representing a potential therapeutic target for cancer treatment. In the present study, we identified eleven SENP1 inhibitors representing a variety of scaffolds through in silico screening. Based on these scaffolds, a series of new compounds were designed and synthesized in order to improve their SENP1 inhibitory potency. As a result, compounds with IC50 as low as 3.5 mu M (compound 13m) were obtained and a preliminary structure-activity relationship was discussed. (C) 2016 Elsevier Masson SAS. All rights reserved.
• 1,3,4-OXADIAZOLE-2-CARBOXAMIDE COMPOUND
  申请人：General Incorporated Association Pharma Valley Project Supporting Organization

  公开号：EP2520575B1

  公开（公告）日：2016-11-30
• US8796320B2
  申请人：——

  公开号：US8796320B2

  公开（公告）日：2014-08-05
• LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE
  申请人：Hodogaya Chemical Co., Ltd.

  公开号：US20180047915A1

  公开（公告）日：2018-02-15

  To provide a light-emitting material containing a compound having a high excitation triplet level, particularly a host material of a light emitting layer, as a material for an organic electroluminescent device with high efficiency, and also to provide an organic electroluminescent device with high efficiency and high luminance by using the material. A light-emitting material containing a compound having a carbazole ring structure represented by the following general formula (1), and an organic electroluminescent device containing a pair of electrodes and one layer or plural layers including at least a light emitting layer intervening between the electrodes, the light emitting layer containing as a constitutional material thereof the light-emitting material.

  提供一种含有具有高激发三重态能级的化合物的发光材料，特别是作为有机电致发光器件的材料，以实现高效率，同时利用该材料提供具有高效率和高亮度的有机电致发光器件。包含具有以下通用式（1）所代表的咔唑环结构的化合物的发光材料，以及包含一对电极和介于电极之间的至少一层或多层的有机电致发光器件，其中发光层作为其构成材料包含该发光材料。