methyl 2,6-dideoxy-2-[(N-carboxypropionyl)-L-leucyl]amino-6-[N-lauroyl-N-octadecylamino]-α-D-glucopyranoside | 166258-83-9

• 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: methyl 2,6-dideoxy-2-[(N-carboxypropionyl)-L-leucyl]amino-6-[N-lauroyl-N-octadecylamino]-α-D-glucopyranoside
• 英文别名: 4-[[(2S)-1-[[(2S,3R,4R,5S,6R)-6-[[dodecanoyl(octadecyl)amino]methyl]-4,5-dihydroxy-2-methoxyoxan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
• CAS: 166258-83-9
• 化学式: C₄₇H₈₉N₃O₉
• 分子量: 840.238
• InChiKey: LGCBNFBPZCTUOO-OKSSCUEQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  59
• 可旋转键数：
  38
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  175
• 氢给体数：
  5
• 氢受体数：
  9

文献信息

• Glucosamine derivative, process for preparing the same and synthetic intermediate thereof
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP0653434A1

  公开（公告）日：1995-05-17

  There are disclosed a D-glucosamine derivative represented by the formula (I): wherein (1) X is a group of formula: and R¹ and R² are both hydrogen atoms; or (2) X is OH or a group of the formula:    and one of R¹ and R² is a group of the formula: -Y-R¹¹ or alkyl and the other is H, or one of R¹ and R² is a group of the formula: -Y-R¹¹ and the other is alkyl; Y is a group of the formula: -CO-, -CS- or -SO₂-; R¹¹ is alkyl, lower alkoxy, alkenyl, alkynyl, phenyl, cycloalkyl, tricycloalkyl, heterocyclic or alkylamino; R³ is H, phenyl, phenoxy, phenylthio, phenylamino or heterocyclic; R⁴ is alkanoyl, alkenoyl or alkynoyl; and Alk is alkylene, provided that a compound in which X is OH, one of R¹ and R² is methyl and the other is acetyl is excluded, or a pharmaceutically acceptable salt thereof, a process for preparing the same, and a synthetic intermediate thereof.

  公开了一种由式(I)表示的D-葡萄糖胺衍生物，其中(1)X是式的一个基团：而R¹和R²都是氢原子；或(2)X是OH或式的一个基团：和R¹和R²中的一个是式的基团：-Y-R¹¹或烷基，另一个是氢，或R¹和R²中的一个是式的基团：-Y-R¹¹，另一个是烷基；Y是式的基团：-CO-，-CS-或-SO₂-；R¹¹是烷基，低级烷氧基，烯基，炔基，苯基，环烷基，三环烷基，杂环或烷基氨基；R³是氢，苯基，苯氧基，苯硫基，苯胺基或杂环；R⁴是脂肪酰基，烯酰基或炔酰基；而Alk是烷基，但当X是OH，R¹和R²中的一个是甲基，另一个是乙酰基的化合物被排除，或其药学上可接受的盐，以及其制备方法和合成中间体。