2-methoxy-6-nitrobiphenyl | 84251-03-6

• 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: 2-methoxy-6-nitrobiphenyl
• 英文别名: 1-methoxy-3-nitro-2-phenylbenzene
• CAS: 84251-03-6
• 化学式: C₁₃H₁₁NO₃
• 分子量: 229.235
• InChiKey: KTCQCWJRIHYPGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  52.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-methoxy-6-nitrobiphenyl 在 硫酸 、 碘 、 镍 、 铜 、 一水合肼 、 过碘酸 作用下， 以 乙二醇乙醚 、 水 、 溶剂黄146 为溶剂， 反应 23.0h， 生成 2',2"-diamino-4",6'-dimethoxy-m-quaterphenyl
  参考文献：
  名称：

  Cornforth, John; Sierakowski, Andrew F.; Wallace Timothy W., Journal of the Chemical Society. Perkin transactions I, 1982, # 10, p. 2299 - 2316

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-dinitrobiphenyl 在 ammonium sulfide 、 硫酸 、 sodium nitrite 作用下， 以 吡啶 、 乙醚 、 乙醇 为溶剂， 反应 4.0h， 生成 2-methoxy-6-nitrobiphenyl
  参考文献：
  名称：

  Cornforth, John; Sierakowski, Andrew F.; Wallace Timothy W., Journal of the Chemical Society. Perkin transactions I, 1982, # 10, p. 2299 - 2316

  摘要：

  DOI：

文献信息

• Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation
  作者：Haixia Su、Yi Zou、Guofeng Chen、Huixia Dou、Hang Xie、Xiaojing Yuan、Xianglei Zhang、Naixia Zhang、Minjun Li、Yechun Xu

  DOI：10.1021/acs.jmedchem.9b02107

  日期：2020.4.23

  Fatty-acid binding protein 4 (FABP4) is a promising therapeutic target for immunometabolic diseases, while its potential for systemic inflammatory response syndrome treatment has not been explored. Here, a series of 2-(phenylamino)benzoic acids as novel and potent FABP4 inhibitors are rationally designed based on an interesting fragment that adopts multiple binding poses within FABP4. A fusion of these binding poses leads to the design of compound 3 with an similar to 460-fold improvement in binding affinity compared to the initial fragment. A subsequent structure-aided optimization upon 3 results in a promising lead (17) with the highest binding affinity among all the inhibitors, exerting a significant anti-inflammatory effect in cells and effectively attenuating a systemic inflammatory damage in mice. Our work therefore presents a good example of lead compound discovery derived from the multiple binding poses of a fragment and provides a candidate for development of drugs against inflammation-related diseases.
• Efficient Cross-Coupling of Aryl Chlorides with Aryl Grignard Reagents (Kumada Reaction) Mediated by a Palladium/Imidazolium Chloride System
  作者：Jinkun Huang、Steven P. Nolan

  DOI：10.1021/ja991703n

  日期：1999.10.1
• Cornforth, John; Ridley, Damon D.; Sierakowski, Andrew F., Journal of the Chemical Society. Perkin transactions I, 1982, # 10, p. 2317 - 2332
  作者：Cornforth, John、Ridley, Damon D.、Sierakowski, Andrew F.、Uguen, Daniel、Wallace, Timothy W.

  DOI：——

  日期：——
• CORNFORTH, S. J.;SIERAKOWSKI, A. F.;WALLACE, T. W., J. CHEM. SOC. PERKIN TRANS. PART 1, 1982, N 10, 2299-2315
  作者：CORNFORTH, S. J.、SIERAKOWSKI, A. F.、WALLACE, T. W.

  DOI：——

  日期：——
• CORNFORTH, S. J.;RIDLEY, D. D.;SIERAKOWSKI, A. F.;UGUEN, D.;WALLACE, T. W+, J. CHEM. SOC. PERKIN TRANS. PART 1, 1982, N 10, 2317-2331
  作者：CORNFORTH, S. J.、RIDLEY, D. D.、SIERAKOWSKI, A. F.、UGUEN, D.、WALLACE, T. W+

  DOI：——

  日期：——