[(1R,2R,5R)-3-ethyl-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl] 2-[(3-methylphenyl)methylamino]acetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(1R,2R,5R)-3-ethyl-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl] 2-[(3-methylphenyl)methylamino]acetate
• 化学式: C₂₂H₃₃NO₂
• 分子量: 343.5
• InChiKey: CJTXCIRAEOZCCT-RXAUJUNVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• NOVEL SYNTHESIS INTERMEDIATES FOR OBTAINING DERIVATIVES OF SPHINGOSINES, CERAMIDES AND SPHINGOMYELINS WITH GOOD YIELDS
  申请人：M2I DEVELOPMENT

  公开号：US20160083335A1

  公开（公告）日：2016-03-24

  The subject matter of the present invention is the novel molecules of formulae E, E′ and F. These molecules prove to be synthesis intermediates that are very advantageous for the manufacture of derivatives of sphingosine or of ceramides functionalized in position 1, with good yields, in which R 1 and R 2 are fatty chains, R 3 is an alkyl group and R 4 is a protective group for alcohol functions. Another subject of the invention is the use of the intermediates of type F for converting same into intermediates of type G, by means of reduction in the presence of lithium borohydride. The G molecules are precursors that are known to make it possible to obtain sphingolipids or sphingomyelin.

  本发明的主题是公式E、E'和F的新型分子。这些分子被证明是合成中间体，非常有利于制造在1位功能化的鞘氨醇衍生物或鞘氨醯胺衍生物，收率良好，其中R1和R2是脂肪链，R3是烷基基团，R4是醇功能的保护基团。本发明的另一个主题是将F型中间体转化为G型中间体的用途，通过在锂硼氢化铝的存在下进行还原。G分子是已知的前体，可以用来获得鞘脂类或鞘磷脂。
• METHODS FOR THE SYNTHESIS OF SPHINGOMYELINS AND DIHYDROSPHINGOMYELINS
  申请人：CERENIS THERAPEUTICS HOLDING SA

  公开号：US20140316154A1

  公开（公告）日：2014-10-23

  The present invention includes methods for the synthesis of sphingomyelins and dihydrosphingomyelins. The present invention also includes methods for the synthesis of sphingosines and dihydrosphingosines. The present invention further includes methods for the synthesis of ceramides and dihydroceramides.

  本发明涉及合成鞘磷脂和二氢鞘磷脂的方法。本发明还涉及合成鞘氨醇和二氢鞘氨醇的方法。本发明还涉及合成鞘醇和二氢鞘醇的方法。
• US20140275590A1
  申请人：——

  公开号：US20140275590A1

  公开（公告）日：2014-09-18
• US9643915B2
  申请人：——

  公开号：US9643915B2

  公开（公告）日：2017-05-09
• US9708354B2
  申请人：——

  公开号：US9708354B2

  公开（公告）日：2017-07-18