2-甲基-4-苯氧基苯甲醛 | 57830-12-3

• 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: 2-甲基-4-苯氧基苯甲醛
• 英文名称: 2-Methyl-4-phenoxybenzaldehyde
• CAS: 57830-12-3
• 化学式: C₁₄H₁₂O₂
• 分子量: 212.248
• InChiKey: WCSJFPSCOWYPRS-UHFFFAOYSA-N

物化性质

• 沸点：
  334.0±30.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2912499000

反应信息

• 作为反应物：
  描述：

  2-甲基-4-苯氧基苯甲醛 在 ammonium hydroxide 、 戴斯-马丁氧化剂 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 (4-Amino-6-chloropyrimidin-5-yl)-(2-methyl-4-phenoxyphenyl)methanone
  参考文献：
  名称：

  BTK INHIBITOR

  摘要：

  提供了一系列的BTK抑制剂，特别公开了一种由公式(I)、(II)、(III)或(IV)表示的化合物、药用可接受的盐、互变异构体或前药。

  公开号：

  US20170313683A1
• 作为产物：
  描述：

  4-氟-2-甲基苯甲醛 、 苯酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-甲基-4-苯氧基苯甲醛
  参考文献：
  名称：

  Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist

  摘要：

  S1P(3)-sparing S1P(1) agonists have attracted attention as a suppressant of autoimmunity with reduced side effects. Our synthetic efforts and extensive SAR studies led to the discovery of 10b named CS-2100 with the EC50 value of 4.0 nM for human S1P(1) and over 5000-fold selectivity against S1P(3). The in vivo immunosuppressive efficacy was evaluated in rats on host versus graft reaction and the ID50 value was determined at 0.407 mg/kg. The docking studies of CS-2100 with the homology model of S1P(1) and S1P(3) showed that the ethyl group on the thiophene ring of CS-2100 was sterically hindered by Phe263 in S1P(3), not in the case of Leu276 in S1P(1). This observation gives an explanation for the excellent S1P(3)-sparing characteristic of CS-2100. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.019

文献信息

• Inhibitors of bacterial RNA polymerase: arylpropanoyl, arylpropenoyl, and arylcyclopropanecarboxyl phloroglucinols
  申请人：Rutgers, The State University of New Jersey

  公开号：US10450292B2

  公开（公告）日：2019-10-22

  The invention provides compounds that are inhibitors of bacterial RNA polymerase. The invention also provides compositions comprising such compounds, methods of making such compounds, and methods of using said compounds. The invention has applications in control of bacterial gene expression, control of bacterial growth, antibacterial chemistry, and antibacterial therapy.

  本发明提供的化合物是细菌 RNA 聚合酶的抑制剂。本发明还提供了包含此类化合物的组合物、制造此类化合物的方法以及使用所述化合物的方法。本发明可应用于控制细菌基因表达、控制细菌生长、抗菌化学和抗菌治疗。
• BTK inhibitor
  申请人：Hubei Bio-Pharmaceutical Industrial Technological Institute Inc.

  公开号：US10662174B2

  公开（公告）日：2020-05-26

  Provided are a series of BTK inhibitors, and specifically disclosed are a compound, pharmaceutically acceptable salt thereof, tautomer thereof or prodrug thereof represented by formula (I), (II), (III) or (IV).

  本文提供了一系列 BTK 抑制剂，特别公开了由式 (I)、(II)、(III) 或 (IV) 表示的化合物、其药学上可接受的盐、同系物或其原药。
• CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE
  申请人：Abbott Laboratories

  公开号：EP0677039A1

  公开（公告）日：1995-10-18
• INHIBITORS OF BACTERIAL RNA POLYMERASE: ARYLPROPANOYL, ARYLPROPENOYL, AND ARYLCYCLOPROPANECARBOXYL PHLOROGLUCINOLS
  申请人：Rutgers, The State University of New Jersey

  公开号：US20190023682A1

  公开（公告）日：2019-01-24

  The invention provides compounds that are inhibitors of bacterial RNA polymerase. The invention also provides compositions comprising such compounds, methods of making such compounds, and methods of using said compounds. The invention has applications in control of bacterial gene expression, control of bacterial growth, antibacterial chemistry, and antibacterial therapy.
• [EN] CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE<br/>[FR] DERIVES DE CYCLOBUTANE UTILISES EN TANT QU'INHIBITEURS DE LA SQUALENE-SYNTHETASE ET DE LA FARNESYLTRANSFERASE PROTEIQUE
  申请人：ABBOTT LABORATORIES

  公开号：WO1995012572A1

  公开（公告）日：1995-05-11

  (EN) The present invention provides a compound of formula (I) processes for the preparation of the compounds of the invention in addition to intermediates useful in these processes, a pharmaceutical composition, and a method of treating disorders resulting from an excess of cholesterol or cancer or a fungal infection.(FR) L'invention concerne un composé de formule (I) ainsi que ses procédés de préparation, des intermédiaires utiles dans ces procédés, une composition pharmaceutique, et un procédé de traitement de troubles résultant d'un excédent de cholestérol, d'un cancer ou d'une infection fongique.