1-cyclopropyl-2-(3,4-dimethylphenoxy)ethan-1-amine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-cyclopropyl-2-(3,4-dimethylphenoxy)ethan-1-amine
• 英文别名: [1-Cyclopropyl-2-(3,4-dimethylphenoxy)ethyl]amine；1-cyclopropyl-2-(3,4-dimethylphenoxy)ethanamine
• 化学式: C₁₃H₁₉NO
• 分子量: 205.3
• InChiKey: ZMMGJTBBDBRXNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-cyclopropyl-2-(3,4-dimethylphenoxy)ethan-1-amine 在 盐酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 1-cyclopropyl-2-(3,4-dimethylphenoxy)ethan-1-amine hydrochloride
  参考文献：
  名称：

  Antiarrhythmic Hit to Lead Refinement in a Dish Using Patient-Derived iPSC Cardiomyocytes

  摘要：

  DOI：

  10.1021/acs.jmedchem.0c01545
• 作为产物：
  描述：

  3,4-二甲基苯酚 在 吡啶 、 硼烷四氢呋喃络合物 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 1-cyclopropyl-2-(3,4-dimethylphenoxy)ethan-1-amine
  参考文献：
  名称：

  Antiarrhythmic Hit to Lead Refinement in a Dish Using Patient-Derived iPSC Cardiomyocytes

  摘要：

  DOI：

  10.1021/acs.jmedchem.0c01545

文献信息

• [EN] 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES<br/>[FR] DERIVES DE 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE RENINE DANS LE TRAITEMENT DE L'HYPERTENSION, DE MALADIES CARDIOVASCULAIRES OU RENALES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2003093267A1

  公开（公告）日：2003-11-13

  The invention relates to novel 3,9-diazabicyclo[3.3.1]nonene derivatives of formula (I) and related compounds and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as inhibitors or renin.

  该发明涉及新型3,9-二氮杂双环[3.3.1]壬烯衍生物（I）及相关化合物，以及它们作为药物组合物中活性成分的用途。该发明还涉及相关方面，包括制备这些化合物的过程、含有这些化合物中的一个或多个的药物组合物，尤其是它们作为肾素抑制剂的用途。
• 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP1501830A1

  公开（公告）日：2005-02-02
• COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS
  申请人：Human BioMolecular Research Institute

  公开号：US20190270696A1

  公开（公告）日：2019-09-05

  Methods and small molecule compounds for inhibition of sodium channels are provided. One example of a class of compounds that may be used is represented by the compound of Formula (I) or a pharmaceutically acceptable salt, N-oxide or solvate thereof, wherein A, B, D, R, R 1 , R′ 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 are as described herein.
• [EN] MEDICAL USE OF DIAZABICYCLONONENE DERIVATIVES AS INHIBITORS OF PARASITE ASPARTIC PROTEASES<br/>[FR] UTILISATION MEDICALE DE DERIVES DE DIAZABICYCLONONENE UTILISES COMME INHIBITEURS DES PROTEASES ASPARTIQUES PARASITES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2004105762A1

  公开（公告）日：2004-12-09

  The invention relates to the use of 3,9-diazabicyclo[3.3.1 ]nonene derivatives and related compounds as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the pharmaceutical compositions containing one or more of those compounds and especially their use as inhibitors of plasmepsin II.
• Antiarrhythmic Hit to Lead Refinement in a Dish Using Patient-Derived iPSC Cardiomyocytes
  作者：John R. Cashman、Daniel Ryan、Wesley L. McKeithan、Karl Okolotowicz、Jorge Gomez-Galeno、Mark Johnson、Kevin J. Sampson、Robert S. Kass、Arash Pezhouman、Hrayr S. Karagueuzian、Mark Mercola

  DOI：10.1021/acs.jmedchem.0c01545

  日期：2021.5.13