C-((1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-phenanthren-1-yl)-methylamine | 47117-16-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: C-((1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-phenanthren-1-yl)-methylamine
• 英文别名: Abietylamine；[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methanamine
• CAS: 47117-16-8
• 化学式: C₂₀H₃₃N
• 分子量: 287.489
• InChiKey: WREBNDYJJMUWAO-LWYYNNOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  金刚烷酰氯 、 C-((1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-phenanthren-1-yl)-methylamine 在 吡啶 作用下， 以 苯 为溶剂， 反应 8.0h， 以81%的产率得到N-(abieta-7,13-dien-18-yl)-1-adamantanecarboxamide
  参考文献：
  名称：

  Synthesis of New 1-Adamantanecarboxylic Acid Derivatives

  摘要：

  Reactions of 1-adamantanecarbonyl chloride with functionally substituted alcohols, phenols, amines, thiols, and ketone oximes gave hitherto unknown 1-adamantanecarboxylic acid esters, amides, and thio esters, including those containing a peroxide group.

  DOI：

  10.1023/b:rujo.0000034968.28257.e9

文献信息

• COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES
  申请人：Robertson Gavin P.

  公开号：US20120141578A1

  公开（公告）日：2012-06-07

  Anti-cancer compositions and methods are described herein. In particular, compositions including one or more of leelamine, a leelamine derivative, abietylamine, an abietylamine derivative, and an abietic acid derivative are described. Methods for treatment of pathological conditions particularly cancer, in a subject using one or more of leelamine, a leelamine derivative, abietylamine, an abietylamine derivative, and an abietic acid derivative are described herein.

  本文描述了抗癌组合物和方法。特别地，本文描述了包括leelamine、leelamine衍生物、abietylamine、abietylamine衍生物和松香酸衍生物中的一个或多个的组合物。本文还描述了使用leelamine、leelamine衍生物、abietylamine、abietylamine衍生物和松香酸衍生物中的一个或多个治疗病理状态特别是癌症的方法。
• Compositions and methods relating to proliferative diseases
  申请人：Robertson Gavin P.

  公开号：US08785502B2

  公开（公告）日：2014-07-22

  Anti-cancer compositions and methods are described herein. In particular, compositions including one or more of leelamine, a leelamine derivative, abietylamine, an abietylamine derivative, and an abietic acid derivative are described. Methods for treatment of pathological conditions particularly cancer, in a subject using one or more of leelamine, a leelamine derivative, abietylamine, an abietylamine derivative, and an abietic acid derivative are described herein.

  本文描述了抗癌组合物和方法。具体来说，本文描述了包括leelamine、leelamine衍生物、abietylamine、abietylamine衍生物和松香酸衍生物中的一个或多个的组合物。本文还描述了使用leelamine、leelamine衍生物、abietylamine、abietylamine衍生物和松香酸衍生物中的一个或多个治疗病理状况特别是癌症的方法。
• Synthesis of New 1-Adamantanecarboxylic Acid Derivatives
  作者：E. A. Dikusar1'、N. G. Kozlov、V. I. Potkin、A. P. Yuvchenko、N. V. Kovganko

  DOI：10.1023/b:rujo.0000034968.28257.e9

  日期：2004.3

  Reactions of 1-adamantanecarbonyl chloride with functionally substituted alcohols, phenols, amines, thiols, and ketone oximes gave hitherto unknown 1-adamantanecarboxylic acid esters, amides, and thio esters, including those containing a peroxide group.