6-(3-fluorophenoxy)hexanal | 1369796-75-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-(3-fluorophenoxy)hexanal
• 英文别名: 6-(3-Fluorophenoxy)hexanal
• CAS: 1369796-75-7
• 化学式: C₁₂H₁₅FO₂
• 分子量: 210.248
• InChiKey: RUKNVXDAJJRDMQ-UHFFFAOYSA-N

物化性质

• 沸点：
  298.7±20.0 °C(Predicted)
• 密度：
  1.064±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(3-fluorophenoxy)hexanal 在 盐酸 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 38.0h， 生成 methyl 7-(3-fluorophenoxy)-2-hydroxyheptanoate
  参考文献：
  名称：

  ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS

  摘要：

  本发明涉及α-酮酰胺衍生物，含有它们的药物组合物以及它们在治疗受内皮脂酶调节的疾病和症状中的用途，例如心血管疾病。

  公开号：

  US20120077847A1
• 作为产物：
  描述：

  3-氟苯酚 在 戴斯-马丁氧化剂 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 5.5h， 生成 6-(3-fluorophenoxy)hexanal
  参考文献：
  名称：

  ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS

  摘要：

  本发明涉及α-酮酰胺衍生物，含有它们的药物组合物以及它们在治疗受内皮脂酶调节的疾病和症状中的用途，例如心血管疾病。

  公开号：

  US20120077847A1

文献信息

• α-ketoamide derivatives useful endothelial lipase inhibitors
  申请人：Greco Michael N.

  公开号：US08476302B2

  公开（公告）日：2013-07-02

  The present invention is directed to α-ketoamide derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by endothelial lipase, for example, cardiovascular disorders.

  本发明涉及α-酮酰胺衍生物，包含它们的药物组合物以及它们在治疗受内皮酯酶调节的疾病和病状中的应用，例如心血管疾病。
• Design, Synthesis, and Biological Evaluation of <i>N</i>-Alkylated Deoxynojirimycin (DNJ) Derivatives for the Treatment of Dengue Virus Infection
  作者：Wenquan Yu、Tina Gill、Lijuan Wang、Yanming Du、Hong Ye、Xiaowang Qu、Ju-Tao Guo、Andrea Cuconati、Kang Zhao、Timothy M. Block、Xiaodong Xu、Jinhong Chang

  DOI：10.1021/jm300171v

  日期：2012.7.12

  We recently described the discovery of oxygenated N-alkyl deoxynojirimycin (DNJ) derivative 7 (CM-10-18) with antiviral activity against dengue virus (DENY) infection both in vitro and in vivo. This imino sugar was promising but had an EC50 against DENY in BHK cells of 6.5 mu M, which limited its use in in vivo. Compound 7 presented structural opportunities for activity relationship analysis, which we exploited and report here. These structure activity relationship studies led to analogues 2h, 2l, 3j, 3l, 3v, and 4b-4c with nanomolar antiviral activity (EC50 = 0.3-0.5 mu M) against DENY infection, while maintaining low cytotoxicity (CC50 > 500 mu M, SI > 1000). In male Sprague-Dawley rats, compound 3l was well tolerated at a dose up to 200 mg/kg and displayed desirable PK profiles, with significantly improved bioavailability (F = 92 +/- 4%).
• US8476302B2
  申请人：——

  公开号：US8476302B2

  公开（公告）日：2013-07-02
• [EN] ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS<br/>[FR] DÉRIVÉS ALPHA-CÉTOAMIDE UTILES COMME INHIBITEURS DE LIPASE ENDOTHÉLIALE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2012047580A1

  公开（公告）日：2012-04-12

  The present invention is directed to α-ketoamide derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by endothelial lipase, for example, cardiovascular disorders.
• ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS
  申请人：Greco Michael N.

  公开号：US20120077847A1

  公开（公告）日：2012-03-29

  The present invention is directed to α-ketoamide derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by endothelial lipase, for example, cardiovascular disorders.

  本发明涉及α-酮酰胺衍生物，含有它们的药物组合物以及它们在治疗受内皮脂酶调节的疾病和症状中的用途，例如心血管疾病。