2-(4-乙基苯氧基)乙醇 | 54411-10-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(4-乙基苯氧基)乙醇
• 英文名称: 2-(4-Ethylphenoxy)ethanol
• CAS: 54411-10-8
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: FPKROJQUJYKRPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2909499000

反应信息

• 作为反应物：
  描述：

  2-(4-乙基苯氧基)乙醇 在 乙醇 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 19.0h， 生成 1-(4-(2-(tert-butyl)phenyl)piperazin-1-yl)-3-(2-(4-ethylphenoxy)ethoxy)propan-2-ol
  参考文献：
  名称：

  Synthesis and evaluation of a novel class Hsp90 inhibitors containing 1-phenylpiperazine scaffold

  摘要：

  Previously, we identified 1-(2-(4-bromophenoxy) ethoxy)-3-(4-(2-methoxyphenyl) piperazin-1-yl) propan- 2-ol (1) as a novel Hsp90 inhibitor with moderate activity through virtual screening. In this study, we report the optimization process of 1. A series of analogues containing the 1-phenylpiperazine core scaffold were synthesized and evaluated. The structure-activity relationships (SAR) for these compounds was also discussed for further molecular design. This effort afforded the most active inhibitor 13f with improved activity in not only target-based level, but also cell-based level compared with the original hit 1. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.070
• 作为产物：
  描述：

  4-乙基苯酚 、 2-氯乙醇 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 24.0h， 生成 2-(4-乙基苯氧基)乙醇
  参考文献：
  名称：

  Synthesis and evaluation of a novel class Hsp90 inhibitors containing 1-phenylpiperazine scaffold

  摘要：

  Previously, we identified 1-(2-(4-bromophenoxy) ethoxy)-3-(4-(2-methoxyphenyl) piperazin-1-yl) propan- 2-ol (1) as a novel Hsp90 inhibitor with moderate activity through virtual screening. In this study, we report the optimization process of 1. A series of analogues containing the 1-phenylpiperazine core scaffold were synthesized and evaluated. The structure-activity relationships (SAR) for these compounds was also discussed for further molecular design. This effort afforded the most active inhibitor 13f with improved activity in not only target-based level, but also cell-based level compared with the original hit 1. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.070

文献信息

• SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF
  申请人：AUGEREAU Jean Michel

  公开号：US20090124624A1

  公开（公告）日：2009-05-14

  The invention concerns 1-amino-phthalazine derivatives of general formula (I): Wherein A, B, L, R, R 1 , R 2 , R 3 , R 4 , R 5 and R 7 are as defined herein. The invention also concerns the preparation of said compounds and their therapeutic use.

  这项发明涉及一般式(I)的1-氨基邻苯二酮衍生物：其中A、B、L、R、R1、R2、R3、R4、R5和R7如本文所定义。该发明还涉及所述化合物的制备及其治疗用途。
• ISOXAZOLIDINE DERIVATIVES
  申请人：GHIDINI Eleonora

  公开号：US20120234316A1

  公开（公告）日：2012-09-20

  Anti-inflammatory and antiallergic compounds of the glucocorticosteroid series, according to formula (I) according to formula (I) defined herein are useful for treating diseases of the respiratory tract characterized by airway obstruction.

  糖皮质类固醇系列的抗炎和抗过敏化合物，根据本文所定义的公式(I)，对于治疗以气道阻塞为特征的呼吸道疾病是有用的。
• [EN] USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD)<br/>[FR] UTILISATION DE COMPOSITIONS MODULANT LA STRUCTURE DE LA CHROMATINE CONTRE LA MALADIE DU GREFFON CONTRE L'HÔTE (GVHD)
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2016073903A1

  公开（公告）日：2016-05-12

  In some aspects, the instant disclosure relates to methods of treating chronic graft versus host disease (cGVHD). In some embodiments, the method comprises administering to a subject in need thereof a EZH2 inhibitor, a Bcl6 inhibitor and/or BRD4 inhibitor. The present disclosure is based, at least in part, on the discovery that enhancer of zeste homolog 2 (EZH2) inhibitors, B-cell lymphoma 6 protein (Bcl6) inhibitors and/or bromodomain-containing protein 4 (BRD4) inhibitors can be used to treat chronic graft versus host disease (cGVHD).

  在某些方面，瞬时披露涉及治疗慢性移植物抗宿主病（cGVHD）的方法。在某些实施例中，该方法包括向需要该方法的受试者施用EZH2抑制剂、Bcl6抑制剂和/或BRD4抑制剂。本公开至少部分地基于发现，增强子of zeste同源物2（EZH2）抑制剂、B细胞淋巴瘤6蛋白（Bcl6）抑制剂和/或含有bromodomain的蛋白4（BRD4）抑制剂可用于治疗慢性移植物抗宿主病（cGVHD）。
• Nuclear vs. side-chain reactivity in the anodic oxidation of 2-(4-alkylphenoxy)ethanol derivatives. An interesting effect of the 2-hydroxyethyl group
  作者：Michael P. Capparelli、Richard S. DeSchepper、John S. Swenton

  DOI：10.1039/c39870000610

  日期：——

  Anodic oxidation of 2-(4-alkylphenoxy)ethanol derivatives in methanol using potassium fluoride as electrolyte at constant current affords good yields of 4-alkyl-4-methoxycyclohexa-2,5-dienone acetals.

  在恒定电流下使用氟化钾作为电解质，在甲醇中对2-（4-烷基苯氧基）乙醇衍生物进行阳极氧化，可以得到4-烷基-4-甲氧基环己-2,5-二烯酮缩醛的良好收率。
• [EN] HETEROCYCLIC KINASE INHIBITORS<br/>[FR] INHIBITEURS HÉTÉROCYCLIQUES DE LA KINASE
  申请人：SELEXAGEN THERAPEUTICS INC

  公开号：WO2011038261A1

  公开（公告）日：2011-03-31

  Described herein are compounds, pharmaceutical compositions and methods for the inhibition of kinase signaling mediated by the kinases A-RAF, B-RAF,C-RAF, p38, or GSK3β.. Said compounds, pharmaceutical compositions and methods have utility in the treatment of human disease and disorders.

  本文描述了一些化合物、药物组合物和方法，用于抑制由A-RAF、B-RAF、C-RAF、p38或GSK3β激酶介导的激酶信号传导。这些化合物、药物组合物和方法在人类疾病和疾病的治疗中有用。