N-(3α-O-bromoacetyllithocholyl)-N'-lauroyl-pyridine-2,6-diamine | 1047659-82-4

• 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-(3α-O-bromoacetyllithocholyl)-N'-lauroyl-pyridine-2,6-diamine
• 英文别名: [(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-[[6-(dodecanoylamino)pyridin-2-yl]amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-bromoacetate
• CAS: 1047659-82-4
• 化学式: C₄₃H₆₈BrN₃O₄
• 分子量: 770.935
• InChiKey: SACBCTMODQMBAM-OPMCNXDDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.9
• 重原子数：
  51
• 可旋转键数：
  19
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  97.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(3α-O-bromoacetyllithocholyl)-N'-lauroyl-pyridine-2,6-diamine 、 尿嘧啶 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以72%的产率得到N-(3α-{O-(N₁-uracil)acetyl}lithocholyl)-N'-lauroyl-pyridine-2,6-diamine
  参考文献：
  名称：

  Synthesis of a novel uracil-2,6-diaminopyridine-lithocholic acid conjugate that self-assembles into a cyclic dimer

  摘要：

  Synthesis and self-association studies of a uracil-2,6-diaminopyridine-lithocholic acid conjugate are described. The dimeric supramolecular structure is characterized by NMR spectroscopic, ESI-MS, and size exclusion chromatographic studies. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.069
• 作为产物：
  描述：

  N-lithocholyl-N'-lauroyl-pyridine-2,6-diamine 、 溴乙酰溴 在 potassium carbonate 作用下， 以 氯仿 为溶剂， 反应 12.0h， 以85%的产率得到N-(3α-O-bromoacetyllithocholyl)-N'-lauroyl-pyridine-2,6-diamine
  参考文献：
  名称：

  Synthesis of a novel uracil-2,6-diaminopyridine-lithocholic acid conjugate that self-assembles into a cyclic dimer

  摘要：

  Synthesis and self-association studies of a uracil-2,6-diaminopyridine-lithocholic acid conjugate are described. The dimeric supramolecular structure is characterized by NMR spectroscopic, ESI-MS, and size exclusion chromatographic studies. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.069

文献信息

• Synthesis of a novel uracil-2,6-diaminopyridine-lithocholic acid conjugate that self-assembles into a cyclic dimer
  作者：Prosenjit Chattopadhyay、Pramod S. Pandey

  DOI：10.1016/j.tetlet.2008.05.069

  日期：2008.7

  Synthesis and self-association studies of a uracil-2,6-diaminopyridine-lithocholic acid conjugate are described. The dimeric supramolecular structure is characterized by NMR spectroscopic, ESI-MS, and size exclusion chromatographic studies. (c) 2008 Elsevier Ltd. All rights reserved.