N-{2-[2-(2-{2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethyl}-succinamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester | 878049-46-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: N-{2-[2-(2-{2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethyl}-succinamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
• CAS: 878049-46-8
• 化学式: C₄₃H₇₅NO₉
• 分子量: 750.07
• InChiKey: JXSURWWRMDJROH-DDIWLWCASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.91
• 重原子数：
  53.0
• 可旋转键数：
  26.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  121.78
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  、 N-{2-[2-(2-{2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethyl}-succinamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester 在 六甲基二硅氮烷 、 4-二甲氨基吡啶 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 以43%的产率得到[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[2-[2-[2-[2-[2-[2-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoate
  参考文献：
  名称：

  Self-Adhesion among Phospholipid Vesicles

  摘要：

  A compound was synthesized that binds to a phospholipid bilayer via a hydrophobic steroid thereby projecting a strong multi-hydrogen bonding unit into the surrounding water. As shown by light scattering, light microscopy, and cryo-HRSEM, this latter unit self-adheres and induces membrane-membrane attachments, as found in many biological systems.

  DOI：

  10.1021/ja057151s
• 作为产物：
  描述：

  六甘醇 在 sodium azide 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 三苯基膦 、 silver(l) oxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 80.5h， 生成 N-{2-[2-(2-{2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethyl}-succinamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
  参考文献：
  名称：

  Self-Adhesion among Phospholipid Vesicles

  摘要：

  A compound was synthesized that binds to a phospholipid bilayer via a hydrophobic steroid thereby projecting a strong multi-hydrogen bonding unit into the surrounding water. As shown by light scattering, light microscopy, and cryo-HRSEM, this latter unit self-adheres and induces membrane-membrane attachments, as found in many biological systems.

  DOI：

  10.1021/ja057151s