(2S)-2-[[(2R)-2-amino-3-[2-[(2R)-2-amino-3-[[(2S)-1-(dodecylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-3-oxopropyl]sulfanylethylsulfanyl]propanoyl]amino]-N-dodecyl-3-hydroxypropanamide | 730931-94-9

• 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: (2S)-2-[[(2R)-2-amino-3-[2-[(2R)-2-amino-3-[[(2S)-1-(dodecylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-3-oxopropyl]sulfanylethylsulfanyl]propanoyl]amino]-N-dodecyl-3-hydroxypropanamide
• CAS: 730931-94-9
• 化学式: C₃₈H₇₆N₆O₆S₂
• 分子量: 777.19
• InChiKey: GUEJCZFUKDEVNQ-CUPIEXAXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  52
• 可旋转键数：
  37
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  260
• 氢给体数：
  8
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (2S)-2-[[(2R)-2-amino-3-[2-[(2R)-2-amino-3-[[(2S)-1-(dodecylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-3-oxopropyl]sulfanylethylsulfanyl]propanoyl]amino]-N-dodecyl-3-hydroxypropanamide 、 (S)-6-[(S)-6-((S)-2,6-Bis-tert-butoxycarbonylamino-hexanoylamino)-2-tert-butoxycarbonylamino-hexanoylamino]-2-tert-butoxycarbonylamino-hexanoic acid 2,5-dioxo-pyrrolidin-1-yl ester 在 sodium hydroxide 作用下， 生成
  参考文献：
  名称：

  Rational Approaches to the Design of Cationic Gemini Surfactants for Gene Delivery

  摘要：

  We report a new class of amphiphilic gemini surfactants as vehicles for gene delivery into cells, and the beginnings of a systematic structure-activity study. Preliminary results suggest that combining gemini surfactants with dioleoylphosphatidylethanolamine (DOPE) should allow the preparation of liposomes of various sizes and lipid compositions. Control of such colloidal changes could be as significant as the changes in the molecular composition of the gemini surfactants in delivering optimum gene expression in animal models.

  DOI：

  10.1021/ja005681c
• 作为产物：
  描述：

  2-氨基-3-[2-(2-氨基-2-羧基-乙基)硫基乙基硫基]丙酸 在 盐酸 、 sodium hydroxide 、 potassium carbonate 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 114.0h， 生成 (2S)-2-[[(2R)-2-amino-3-[2-[(2R)-2-amino-3-[[(2S)-1-(dodecylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-3-oxopropyl]sulfanylethylsulfanyl]propanoyl]amino]-N-dodecyl-3-hydroxypropanamide
  参考文献：
  名称：

  Rational Approaches to the Design of Cationic Gemini Surfactants for Gene Delivery

  摘要：

  We report a new class of amphiphilic gemini surfactants as vehicles for gene delivery into cells, and the beginnings of a systematic structure-activity study. Preliminary results suggest that combining gemini surfactants with dioleoylphosphatidylethanolamine (DOPE) should allow the preparation of liposomes of various sizes and lipid compositions. Control of such colloidal changes could be as significant as the changes in the molecular composition of the gemini surfactants in delivering optimum gene expression in animal models.

  DOI：

  10.1021/ja005681c