3-(2-甲氧基乙氧基)-5-(3-甲氧基丙基)苯甲醛 | 1160184-95-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-(2-甲氧基乙氧基)-5-(3-甲氧基丙基)苯甲醛
• 英文名称: 3-(2-methoxyethoxy)-5-(3-methoxypropyl)benzaldehyde
• CAS: 1160184-95-1
• 化学式: C₁₄H₂₀O₄
• 分子量: 252.31
• InChiKey: YOBHSAJTGJZKSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  3-(2-甲氧基乙氧基)-5-(3-甲氧基丙基)苯甲醛 、 环丙胺 在 magnesium sulfate 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  [EN] RENIN INHIBITORS
  [FR] INHIBITEURS DE LA RÉNINE

  摘要：

  本发明涉及含有氨基末端基团的哌啶基肾素抑制剂化合物，以及它们在治疗心血管事件和肾功能不全方面的用途。

  公开号：

  WO2009070869A1
• 作为产物：
  描述：

  在 1% Pd/C 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 以75%的产率得到3-(2-甲氧基乙氧基)-5-(3-甲氧基丙基)苯甲醛
  参考文献：
  名称：

  Design and optimization of a substituted amino propanamide series of renin inhibitors for the treatment of hypertension

  摘要：

  The discovery and SAR of a new series of substituted amino propanamide renin inhibitors are herein described. This work has led to the preparation of compounds with in vitro and in vivo profiles suitable for further development. Specifically, challenges pertaining to oral bioavailability, covalent binding and time-dependent CYP 3A4 inhibition were overcome thereby culminating in the identification of compound 50 as an optimized renin inhibitor with good efficacy in the hypertensive double-transgenic rat model. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.036

文献信息

• RENIN INHIBITORS
  申请人：Dube Daniel

  公开号：US20100249163A1

  公开（公告）日：2010-09-30

  The present invention relates to piperidinyl-based renin inhibitor compounds having the formula containing amino-terminal groups, and their use in treating cardiovascular events and renal insufficiency.

  本发明涉及具有以下公式的含氨基端基团的哌啶基丙酰肽酶抑制剂化合物，并且它们在治疗心血管事件和肾功能不全方面的使用。
• [EN] RENIN INHIBITORS<br/>[FR] INHIBITEURS DE LA RÉNINE
  申请人：MERCK FROSST CANADA LTD

  公开号：WO2009070869A1

  公开（公告）日：2009-06-11

  The present invention relates to piperidinyl-based renin inhibitor compounds having the formula containing amino-terminal groups, and their use in treating cardiovascular events and renal insufficiency.

  本发明涉及含有氨基末端基团的哌啶基肾素抑制剂化合物，以及它们在治疗心血管事件和肾功能不全方面的用途。
• Design and optimization of a substituted amino propanamide series of renin inhibitors for the treatment of hypertension
  作者：Austin Chen、Christopher Bayly、Olivier Bezençon、Sylvia Richard-Bildstein、Daniel Dubé、Laurence Dubé、Sébastien Gagné、Michel Gallant、Mireille Gaudreault、Erich Grimm、Robert Houle、Patrick Lacombe、Sébastien Laliberté、Jean-François Lévesque、Suzanna Liu、Dwight MacDonald、Bruce Mackay、David Martin、Dan McKay、David Powell、L’uboš Remeň、Stephen Soisson、Sylvie Toulmond

  DOI：10.1016/j.bmcl.2010.02.036

  日期：2010.4

  The discovery and SAR of a new series of substituted amino propanamide renin inhibitors are herein described. This work has led to the preparation of compounds with in vitro and in vivo profiles suitable for further development. Specifically, challenges pertaining to oral bioavailability, covalent binding and time-dependent CYP 3A4 inhibition were overcome thereby culminating in the identification of compound 50 as an optimized renin inhibitor with good efficacy in the hypertensive double-transgenic rat model. (C) 2010 Elsevier Ltd. All rights reserved.