4-[2-(4-Methoxyphenoxy)ethoxy]benzaldehyde | 299934-13-7

• 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: 4-[2-(4-Methoxyphenoxy)ethoxy]benzaldehyde
• CAS: 299934-13-7
• 化学式: C₁₆H₁₆O₄
• 分子量: 272.301
• InChiKey: BQOJTTUCZKBXJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[2-(4-Methoxyphenoxy)ethoxy]benzaldehyde 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 [4-[2-(4-Methoxyphenoxy)ethoxy]phenyl]methanol
  参考文献：
  名称：

  New PPARγ ligands based on 2-hydroxy-1,4-naphthoquinone: Computer-aided design, synthesis, and receptor-binding studies

  摘要：

  FlexX-based molecular docking study was employed to identify 2-hydroxy-1,4-naphthoquinone as a new 'acidic head group' for the design of a novel series of PPAR gamma ligands. To provide the proof of concept, designed molecules were synthesized and evaluated in a standard radioligand-binding assay. Out of eight molecules, four were found to bind to the murine PPAR gamma with IC(50) ranging from 0.2 to 56.2 mu M as compared to standard pioglitazone, with IC(50) of 0.7 mu M. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.072
• 作为产物：
  描述：

  4-甲氧基苯酚 、 4-(2-溴乙氧基)苯甲醛 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-[2-(4-Methoxyphenoxy)ethoxy]benzaldehyde
  参考文献：
  名称：

  基于巴比妥酸的新型PPARgamma配体：虚拟筛选，合成和受体结合研究。

  摘要：

  利用虚拟筛选和分子对接方法，设计了一系列基于巴比妥酸（BA）的PPARγ配体。为了验证计算方法，合成了设计的分子并在体外放射性配体结合研究中进行了评估。在全部14个分子中，发现有6个与鼠PPARgamma结合，与参考标准吡格列酮相比，IC（50）的范围为0.1至2.5 microM（IC（50）= 0.7 microM）。

  DOI：

  10.1016/j.bmcl.2008.08.028

文献信息

• POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, AND DISPLAY DEVICE
  申请人：FUJIFILM Corporation

  公开号：US20170226317A1

  公开（公告）日：2017-08-10

  A polarizing plate protective film which prevents deterioration of polarization performance in a high temperature, high humidity environment, and a polarizing plate and display device using the film including a compound represented by the following General Formula (I). (X-L n z General Formula (I) X represents a formyl group, a boronic acid group, or a group represented by the following General Formula (I-B) or a group represented by the following General Formula (I-C), where L represents a single bond or divalent linking group, and n represents an integer equal to or greater than 2. When n is 2, Z represents a single bond or a divalent group, and when n≧3, Z represents an n-valent group. R A and R B represent an alkyl group, a cycloalkyl group, an aryl group, or an acyl group. R A and R B may be bonded to each other to form a ring. * represents a bond to be bonded to L.

  一种偏光板保护膜，可防止在高温高湿环境中偏光性能的恶化，以及使用包括下述一般式（I）所代表的化合物的偏光板和显示装置。 （X-L n z 一般式（I） X代表甲酰基、硼酸基或由下述一般式（I-B）所代表的基团或由下述一般式（I-C）所代表的基团，其中L代表单键或二价连接基团，n代表大于或等于2的整数。当n为2时，Z代表单键或二价基团，当n≧3时，Z代表n价基团。 RA和RB代表烷基、环烷基、芳基或酰基。RA和RB可以相互连接形成环。*代表要连接到L的键。
• New PPARγ ligands based on barbituric acid: Virtual screening, synthesis and receptor binding studies
  作者：Sandeep Sundriyal、Bhoomi Viswanad、Poduri Ramarao、Asit K. Chakraborti、Prasad V. Bharatam

  DOI：10.1016/j.bmcl.2008.08.028

  日期：2008.9

  A new series of PPARgamma ligands based on barbituric acid (BA) has been designed employing virtual screening and molecular docking approach. To validate the computational approach, designed molecules were synthesized and evaluated in in vitro radioligand binding studies. Out of the total 14 molecules, 6 were found to bind to the murine PPARgamma with IC(50) ranging from 0.1 to 2.5 microM as compared

  利用虚拟筛选和分子对接方法，设计了一系列基于巴比妥酸（BA）的PPARγ配体。为了验证计算方法，合成了设计的分子并在体外放射性配体结合研究中进行了评估。在全部14个分子中，发现有6个与鼠PPARgamma结合，与参考标准吡格列酮相比，IC（50）的范围为0.1至2.5 microM（IC（50）= 0.7 microM）。
• Synthesis, Anti-microbial, Antifungal and In Silico Assessment of Some 2,4,5-Trisubstituted Imidazole Analogues
  作者：Elham Zarenezhad、Somayeh Behrouz、Marzieh Behrouz、Mohammad Navid Soltani Rad

  DOI：10.1016/j.molstruc.2023.136839

  日期：2024.1

  In this current research, we have explained design, synthesis and in silico study of some 2,4,5-trisubstituted imidazole derivatives in the presence of [SiO2-CuL] as a heterogeneous catalyst. The chemical structures of title compounds were characterized using different spectroscopic techniques. Then, the in vitro anti-microbial activity of the synthesized compounds 4a-v were investigated against two

  在当前的研究中，我们解释了在[SiO 2 -CuL]作为非均相催化剂存在下一些2,4,5-三取代咪唑衍生物的设计、合成和计算机研究。使用不同的光谱技术表征了标题化合物的化学结构。然后，研究了合成的化合物4a-v针对包括金黄色葡萄球菌（ATCC 6538）和大肠杆菌（ATTC 35218）的两种细菌培养物以及针对一些病原真菌（例如白色念珠菌ATCC 10231）的体外抗微生物活性，光滑念珠菌 (ATCC 2001)、克柔念珠菌 (ATCC 6258)和黑曲霉 (ATCC 16404)。结果表明，与青霉素、四环素和氟康唑对照药相比，这些化合物对上述病原体具有中等到良好的活性。在测试的化合物中，4h对金黄色葡萄球菌和大肠杆菌表现出良好的抗菌活性。此外，4h和4p对光滑念珠菌表现出良好的抗真菌活性（MIC：4 μg/mL），甚至强于标准药物氟康唑（MIC：32 μg/mL）。进行分子对接研究，获得
• New PPARγ ligands based on 2-hydroxy-1,4-naphthoquinone: Computer-aided design, synthesis, and receptor-binding studies
  作者：Sandeep Sundriyal、Bhoomi Viswanad、Elumalai Bharathy、Poduri Ramarao、Asit K. Chakraborti、Prasad V. Bharatam

  DOI：10.1016/j.bmcl.2008.04.072

  日期：2008.6

  FlexX-based molecular docking study was employed to identify 2-hydroxy-1,4-naphthoquinone as a new 'acidic head group' for the design of a novel series of PPAR gamma ligands. To provide the proof of concept, designed molecules were synthesized and evaluated in a standard radioligand-binding assay. Out of eight molecules, four were found to bind to the murine PPAR gamma with IC(50) ranging from 0.2 to 56.2 mu M as compared to standard pioglitazone, with IC(50) of 0.7 mu M. (C) 2008 Elsevier Ltd. All rights reserved.