2-bromo-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethanone | 42445-05-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-bromo-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethanone
• 英文别名: 4-Chlor-4'-methoxy-desylbromid；α-bromo-4'-chloro-4-methoxy-deoxybenzoin；α-Brom-4'-chlor-4-methoxy-desoxybenzoin
• CAS: 42445-05-6
• 化学式: C₁₅H₁₂BrClO₂
• 分子量: 339.616
• InChiKey: BURBQUGSHSUHAK-UHFFFAOYSA-N

物化性质

• 熔点：
  106.5 °C
• 沸点：
  432.4±35.0 °C(Predicted)
• 密度：
  1.466±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-bromo-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethanone 在 乙醇 、 Fehling solution 、 sodium ethanolate 作用下， 生成 1-(4-氯苯基)-2-(4-甲氧基苯基)乙烷-1,2-二酮
  参考文献：
  名称：

  The Grignard Reaction in the Synthesis of Ketones. V. The Preparation of the Isomeric p-Chlorobenzanisoins

  摘要：

  DOI：

  10.1021/ja01320a042
• 作为产物：
  描述：

  对氯苯乙酰氯 在 溴 、 溶剂黄146 作用下， 反应 16.0h， 生成 2-bromo-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethanone
  参考文献：
  名称：

  邻二芳基吡咯基尿素衍生物可通过抑制SOAT酶发挥潜在的降低胆固醇的作用。

  摘要：

  合成了一系列新颖的邻位二芳基唑-脲衍生物，并评估了其抑制SOAT酶的潜力。在所报道的化合物中，化合物（12d）成为最有效的化合物，IC50值为2.43μM。在polaxamer-407诱导的脂蛋白脂肪酶抑制模型中，化合物（12d）降低了体内甘油三酸酯的转化率。化合物（12d）还以30mg / kg的剂量显示出剂量依赖性的血清总胆固醇预防和LDL-C升高的预防。此外，化合物（12d）显示出潜在地剂量依赖性地阻止血清HDL-C水平下降并改善动脉粥样硬化指数。研究了12d对体重，斑块形成和动脉粥样硬化病变发展的影响。化合物（12d）的毒理学研究表明，以2000 mg / kg的剂量，

  DOI：

  10.1016/j.ejmech.2017.02.038

文献信息

• UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF
  申请人：Sugawara Yuji

  公开号：US20100234395A1

  公开（公告）日：2010-09-16

  Discloses is a pharmaceutical agent comprising an ureide derivative represented by the formula: or a pharmaceutically acceptable salt thereof as an active ingredient. The ureide derivative or the pharmaceutically acceptable salt thereof is useful for the relief of a pain or the treatment or prevention of neurogenic pain.

  Discloses是一种药物代理剂，包括一种由以下公式表示的尿素衍生物或其药学上可接受的盐作为活性成分。该尿素衍生物或其药学上可接受的盐对缓解疼痛或治疗或预防神经源性疼痛有用。
• UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP2009006A1

  公开（公告）日：2008-12-31

  This invention relates to a pharmaceutical comprising, as an active ingredient, a ureide derivative represented by formula: or a pharmaceutically acceptable salt thereof. The ureide derivative or a pharmaceutically acceptable salt thereof according to the present invention is useful for relieving pain and treating or preventing neuropathic pain.

  本发明涉及一种药物，其活性成分包括由式表示的脲衍生物： 或其药学上可接受的盐。根据本发明的脲苷衍生物或其药学上可接受的盐可用于缓解疼痛、治疗或预防神经性疼痛。
• Shridhar, D. R.; Ram, Bhagat; Sarma, C. R., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1982, vol. 21, # 9, p. 860 - 864
  作者：Shridhar, D. R.、Ram, Bhagat、Sarma, C. R.、Saxena, N. K.

  DOI：——

  日期：——
• Synthesis, cytotoxic evaluation, and molecular docking study of 4,5-diaryl-thiazole-2-thione analogs of combretastatin A-4 as microtubule-binding agents
  作者：Marjan Salehi、Seyed Nasser Ostad、Gholam Hossein Riazi、Amir Assadieskandar、Tayebeh Cheraghi-Shavi、Abbas Shafiee、Mohsen Amini

  DOI：10.1007/s00044-013-0754-6

  日期：2014.3

  A series of combretastatin A-4 analogs in which cis-olefinic bond replaced by thiazole ring were prepared by reaction of alpha-bromo-1,2-(p-substituted)diaryl-1-ethanones and dithiocarbamate derivatives. The cytotoxicity of these compounds was determined against three cancer cell lines (HT-29), (MCF-7), (AGS) as well as fibroblastic cell line (NIH-3T3) using MTT assay. Inhibition of tubulin polymerization for some potent compounds was evaluated. These biological studies proved that 6j and 6o were the most potent compounds in this series. Furthermore 2-(methylthio)-substituted compounds show moderate or no activity. Docking studies involving 6j and 6o demonstrated that this analogs could be successfully docked in the colchicine binding site of alpha,beta-tubulin.
• Convenient and Regiospecific Method for Synthesis of 4,5-Diaryl-1-methyl-2-(methylthio)-1<i>H</i>-imidazole
  作者：Amir Assadieskandar、Marjan Salehi、Mohsen Vosooghi、Abbas Shafiee、Mohsen Amini

  DOI：10.1080/00397911.2012.717670

  日期：2013.9.17

  A convenient, high-yielding, regiospecific synthesis of 1H-imidazole-2-thiones ring has been developed. In addition, a series of 4,5-diaryl-1-methyl-2-(methylthio)-1H-imidazoles 8 were synthesized and characterized. The structure of regioisomers was confirmed through nuclear Overhauser effect spectroscopy and NMR spectroscopy. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.