2-(4-(3-phenylpropoxy)phenyl)ethan-1-ol | 1228930-59-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(4-(3-phenylpropoxy)phenyl)ethan-1-ol
• 英文别名: 2-[4-(3-Phenylpropoxy)phenyl]ethanol；2-[4-(3-phenylpropoxy)phenyl]ethanol
• CAS: 1228930-59-3
• 化学式: C₁₇H₂₀O₂
• 分子量: 256.345
• InChiKey: CGNIMDRYLKGZOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-(3-phenylpropoxy)phenyl)ethan-1-ol 在 三乙胺 、 lithium iodide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Novel immunomodulators based on an oxazolin-2-one-4-carboxamide scaffold

  摘要：

  A series of oxazolidin-2-one-4-carboxylic amide compounds (1a-f) were designed and synthesized as the non-phosphate S1P1 receptor agonists. The single crystal of 1e was prepared and solved to elucidate the structure of 1a-f. EC(50) of 1a-d were about 1.1-3.6 mu M in S1P(1) Redistribution (R) assay, and their cytotoxicity was 8-40-fold lower than FTY720. Though its S1P(1) agonist activities in vitro were about 1000-folds weaker than (S)-FTY720-P, at a dose of 10 mg/Kg, the immunosuppressive effects of 1a were comparable to FTY720. So oxazolidin-2-one-4-carboxylic amide derivatives were found as potential immunomodulator, compound 1a could be considered as a lead compound, rational modifications of 1a are anticipated using medicinal chemistry techniques and molecular modeling to obtain analogs with higher affinity and better clinical therapeutic properties. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.088
• 作为产物：
  描述：

  对羟基苯乙醇 、 1-溴-3-苯基丙烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 以95%的产率得到2-(4-(3-phenylpropoxy)phenyl)ethan-1-ol
  参考文献：
  名称：

  [EN] SOCE INHIBITORS AND THERAPEUTIC USES THEREOF
  [FR] INHIBITEURS DE SOCE ET LEURS UTILISATIONS THÉRAPEUTIQUES

  摘要：

  本发明提供了一种作为治疗剂在各种应用中有用的SOCE抑制剂。本发明还涉及包含这种SOCE抑制剂的药物组合物、产品和试剂盒，以及在治疗各种疾病中使用SOCE抑制剂的方法。

  公开号：

  WO2021233994A1

文献信息

• SOCE INHIBITORS AND THERAPEUTIC USES THEREOF
  申请人：Centre Hospitalier Régional et Universitaire de Brest

  公开号：EP3912972A1

  公开（公告）日：2021-11-24

  The present invention provides SOCE inhibitors that are useful as therapeutic agents in a variety of applications. The present invention also relates to pharmaceutical compositions, products and kits comprising such SOCE inhibitors, and methods of using the SOCE inhibitors in the treatment of a variety of diseases.

  本发明提供了在各种应用中可用作治疗剂的 SOCE 抑制剂。本发明还涉及包含此类 SOCE 抑制剂的药物组合物、产品和试剂盒，以及使用 SOCE 抑制剂治疗各种疾病的方法。
• [EN] SOCE INHIBITORS AND THERAPEUTIC USES THEREOF<br/>[FR] INHIBITEURS DE SOCE ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：INST NAT SANTE RECH MED

  公开号：WO2021233994A1

  公开（公告）日：2021-11-25

  The present invention provides SOCE inhibitors that are useful as therapeutic agents in a variety of applications. The present invention also relates to pharmaceutical compositions, products and kits comprising such SOCE inhibitors, and methods of using the SOCE inhibitors in the treatment of a variety of diseases.

  本发明提供了一种作为治疗剂在各种应用中有用的SOCE抑制剂。本发明还涉及包含这种SOCE抑制剂的药物组合物、产品和试剂盒，以及在治疗各种疾病中使用SOCE抑制剂的方法。
• Novel immunomodulators based on an oxazolin-2-one-4-carboxamide scaffold
  作者：Xinhua He、Lili Wang、Zhibing Zheng、Junhai Xiao、Wu Zhong、Song Li

  DOI：10.1016/j.bmcl.2011.10.088

  日期：2012.1

  A series of oxazolidin-2-one-4-carboxylic amide compounds (1a-f) were designed and synthesized as the non-phosphate S1P1 receptor agonists. The single crystal of 1e was prepared and solved to elucidate the structure of 1a-f. EC(50) of 1a-d were about 1.1-3.6 mu M in S1P(1) Redistribution (R) assay, and their cytotoxicity was 8-40-fold lower than FTY720. Though its S1P(1) agonist activities in vitro were about 1000-folds weaker than (S)-FTY720-P, at a dose of 10 mg/Kg, the immunosuppressive effects of 1a were comparable to FTY720. So oxazolidin-2-one-4-carboxylic amide derivatives were found as potential immunomodulator, compound 1a could be considered as a lead compound, rational modifications of 1a are anticipated using medicinal chemistry techniques and molecular modeling to obtain analogs with higher affinity and better clinical therapeutic properties. (C) 2011 Elsevier Ltd. All rights reserved.