1,3,5-trimethyl-2-(2,4,5-trimethyl-benzenesulfonyl)-benzene | 1417718-29-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3,5-trimethyl-2-(2,4,5-trimethyl-benzenesulfonyl)-benzene
• 英文别名: 1,3,5-trimethyl-2-(2,4,5-trimethylbenzenesulfonyl)benzene；1,3,5-Trimethyl-2-(2,4,5-Trimethyl-Benzenesulfonyl)-Benzene；1,3,5-trimethyl-2-(2,4,5-trimethylphenyl)sulfonylbenzene
• CAS: 1417718-29-6
• 化学式: C₁₈H₂₂O₂S
• 分子量: 302.437
• InChiKey: QXJITWIQGAXQPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,4,6-三甲基苯磺酰氯 、 1,2,4-三甲基苯 在 aluminum (III) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以96%的产率得到1,3,5-trimethyl-2-(2,4,5-trimethyl-benzenesulfonyl)-benzene
  参考文献：
  名称：

  [EN] MODULATORS OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS)
  [FR] MODULATEURS DE PROTÉINES D'ÉCHANGE DIRECTEMENT ACTIVÉES PAR L'AMPC (EPAC)

  摘要：

  该发明的实施例涉及抑制EPAC蛋白活性的化合物以及使用这些化合物的方法。发明人已经开发了一种敏感且稳健的高通量筛选（HTS）测定方法，用于识别EPAC特异性抑制剂（Tsalkova等人（2012年）PLOS ONE 7(1)：e30441）。

  公开号：

  WO2013119931A1

文献信息

• MODULATORS OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS)
  申请人：The Board of Regents of the University of Texas System

  公开号：US20150110809A1

  公开（公告）日：2015-04-23

  Embodiments of the invention are directed to compounds that inhibit an activity of EP AC proteins and methods of using the same. The inventors have developed a sensitive and robust high throughput screening (HTS) assay for the purpose of identifying EPAC specific inhibitors (Tsalkova et al. (2012) PLOS ONE 7 (1):e30441).

  本发明的实施例涉及抑制EPAC蛋白活性的化合物及其使用方法。发明人开发了一种灵敏且强大的高通量筛选（HTS）检测方法，以识别EPAC特异性抑制剂（TSalkova等人（2012）PLOS ONE 7（1）：e30441）。
• Identification and Characterization of Small Molecules as Potent and Specific EPAC2 Antagonists
  作者：Haijun Chen、Tamara Tsalkova、Oleg G. Chepurny、Fang C. Mei、George G. Holz、Xiaodong Cheng、Jia Zhou

  DOI：10.1021/jm3014162

  日期：2013.2.14

  EPAC1 and EPAC2, two isoforms of exchange proteins directly activated by cAMP (EPAC), respond to the second messenger cAMP and regulate a wide variety of intracellular processes under physiological and pathophysiological circumstances. Herein, we report the chemical design, synthesis, and pharmacological characterization of three different scaffolds (diarylsulfones, N,N-diarylamines, and arylsulfonamides) as highly potent and selective antagonists of EPAC2. Several selective EPAC2 antagonists have been identified including 20i (HJC0350), which has an apparent IC50 of 0.3 mu M for competing with 8-NBD-cAMP binding of EPAC2 and is about 133-fold more potent than cAMP. Compounds 1 (ESI-05), 14c (HJC0338), and 20i, selected from each series, have exhibited no inhibition of EPAC1-mediated Rap1-GDP exchange activity at 25 mu M, indicating that they are EPAC2-specific antagonists. Moreover, live-cell imaging studies using EPAC1, EPAC2, or PICA FRET sensor also demonstrate that 20i functions as an EPAC2 specific antagonist.
• METHODS OF TREATING RICKETTSIA USING EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) INHIBITORS
  申请人：Gong Bin

  公开号：US20140348853A1

  公开（公告）日：2014-11-27

  Embodiments of the invention are directed to compounds that inhibit an activity of EPAC proteins and methods of using the same.
• US9539256B2
  申请人：——

  公开号：US9539256B2

  公开（公告）日：2017-01-10
• [EN] ANTIMICROBIAL METHODS USING INHIBITORS OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPAC)<br/>[FR] PROCÉDÉS ANTIMICROBIENS UTILISANT DES INHIBITEURS DE PROTÉINES D'ÉCHANGE DIRECTEMENT ACTIVÉES PAR L'AMPC (EPAC)
  申请人：UNIV TEXAS

  公开号：WO2014123680A1

  公开（公告）日：2014-08-14

  Embodiments of the invention are directed to compositions and method for treating a viral infection. Embodiments of the invention are directed to medicine and health care. Certain embodiments are directed to methods of treating infectious disease. Additional embodiments are directed to the use of inhibitors of exchange proteins directly activated by cAMP (Epac) to treat viral infections.