2-{[cyclohexyl(methyl)amino]methyl}-4,6-bis(3,5-dimethylphenyl)aniline | 1446022-85-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-{[cyclohexyl(methyl)amino]methyl}-4,6-bis(3,5-dimethylphenyl)aniline
• 英文别名: SF-80；2-[[Cyclohexyl(methyl)amino]methyl]-4,6-bis(3,5-dimethylphenyl)aniline
• CAS: 1446022-85-0
• 化学式: C₃₀H₃₈N₂
• 分子量: 426.645
• InChiKey: DCTPVSCVTZHQJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  溴己新 、 3,5-二甲基苯硼酸 在 2-双环己基膦-2',6'-二甲氧基联苯 、 palladium diacetate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以59%的产率得到2-{[cyclohexyl(methyl)amino]methyl}-4,6-bis(3,5-dimethylphenyl)aniline
  参考文献：
  名称：

  Palladium-catalysed Suzuki–Miyaura coupling reactions of Bromhexine and Ambroxol

  摘要：

  The Suzuki-Miyaura coupling reaction was applied for the synthesis of biologically relevant derivatives of known mucolytic agents Bromhexine and Ambroxol. Using commercially available electron-rich and electron-poor arylboronic acids the desired products are obtained in moderate to high yields (42-81%). (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.05.116

文献信息

• COMBINATION OF A COMPOUND HAVING THE ABILITY TO REARRANGE A LYSOSOMAL ENZYME AND AMBROXOL AND/OR A DERIVATIVE OF AMBROXOL
  申请人：Centogene IP GmbH

  公开号：EP2793872B1

  公开（公告）日：2021-03-10
• Combination of a Compound Having the Ability to Rearrange a Lysosomal Enzyme and Ambroxol and/or a Derivative of Ambroxol
  申请人：Centogene IP GmbH

  公开号：US20210228560A1

  公开（公告）日：2021-07-29

  The present invention is related to a combination comprising a first constituent and a second constituent, wherein the first constituent is a compound having the ability to rearrange a lysosomal protein, wherein the lysosomal protein has a reduced activity, and wherein the second constituent is Ambroxol and/or a derivative of Ambroxol.