N⁴-acetyl-N¹-(3-bromopropyl)cytosine | 22917-95-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N⁴-acetyl-N¹-(3-bromopropyl)cytosine
• 英文别名: N-Acetyl-1-(3-bromopropyl)cytosin；N⁴-Acetyl-1-(3-brom-propyl)-cytosin；4-acetylamino-1-(3-bromo-propyl)-1H-pyrimidin-2-one；N-[1-(3-bromopropyl)-2-oxopyrimidin-4-yl]acetamide
• CAS: 22917-95-9
• 化学式: C₉H₁₂BrN₃O₂
• 分子量: 274.117
• InChiKey: UGCKPEJKZWTSLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.99
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  63.99
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N⁴-acetyl-N¹-(3-bromopropyl)cytosine 在 lithium hydroxide monohydrate 、 potassium carbonate 、 sodium iodide 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 6.0h， 生成 3-[3-(4-Amino-2-oxopyrimidin-1-yl)propyl-methylamino]propanoic acid
  参考文献：
  名称：

  [EN] LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS
  [FR] COMPOSÉS LIPIDIQUES ET COMPOSITIONS DE NANOPARTICULES LIPIDIQUES

  摘要：

  本文提供了一种脂质化合物，可与其他脂质成分（如中性脂质、胆固醇和聚合物共轭脂质）结合使用，形成脂质纳米粒子，用于传递治疗剂（如核酸分子）以进行治疗或预防，包括疫苗接种。本文还提供了包含所述脂质化合物的脂质纳米粒子组合物。

  公开号：

  WO2022037652A1
• 作为产物：
  描述：

  N4-乙酰胞嘧啶 、 1,3-二溴丙烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 36.5h， 以7%的产率得到N⁴-acetyl-N¹-(3-bromopropyl)cytosine
  参考文献：
  名称：

  [EN] LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS
  [FR] COMPOSÉS LIPIDIQUES ET COMPOSITIONS DE NANOPARTICULES LIPIDIQUES

  摘要：

  本文提供了一种脂质化合物，可与其他脂质成分（如中性脂质、胆固醇和聚合物共轭脂质）结合使用，形成脂质纳米粒子，用于传递治疗剂（如核酸分子）以进行治疗或预防，包括疫苗接种。本文还提供了包含所述脂质化合物的脂质纳米粒子组合物。

  公开号：

  WO2022037652A1

文献信息

• Molecular Boxes Derived from Crown Ethers and Nucleotide Bases: Probes for Hoogsteen vs Watson-Crick H-Bonding and Other Base-Base Interactions in Self-Assembly Processes
  作者：Otto F. Schall、George W. Gokel

  DOI：10.1021/ja00093a005

  日期：1994.7

  Bibracchial lariat ethers based upon 4, 13-diaza-18-crown-6 having -(CH2)(3)-sidearms terminated in adenine or thymine have been prepared and characterized. The three structures are as follows: adenine-(CH2)(3)-(N18N)(CH2)(3)-adenine (A-O-A), thymine-(CH2)(3)-(N18N)-(CH2)(3)-thymine (T-O-T), and adenine-(CH2)(3)-(N18N)-(CH2)(3)-thymine (A-O-T). Association of the nucleotide bases was expected to afford molecular boxes or other aggregates that would be stabilized by interactions between or among the nucleotide bases. These compounds have been studied in solution by H-1-NMR spectroscopy and by vapor pressure osmometry to determine the extent of association as well as what interactions occur between the bases. The H-1-NMR solution studies involved both temperature and concentration dependence and NOE studies. Several lines of evidence make clear that association does occur in CDCl3 with an association constant for A-O-A with T-O-T of 855 M(-1). Both intra- and intermolecular H-bonding interactions are detected. Hoogsteen binding modes appear to play a very important role in these flexible systems. The A-O-A.T-O-T box may also comprise a ditopic receptor system in which the sides of the box are Ade::Thy pairs and the ends are crown ethers. We have studied such systems in the presence of decanediyldiammonium and dodecanediyldiammonium salts and report evidence for a ternary induced-fit receptor complex.
• SUMMERS W. A.; LEE J. Y.; BURR J. G., J. ORG. CHEM. <JOCE-AH>, 1975, 40, NO 11, 1559-1561
  作者：SUMMERS W. A.、 LEE J. Y.、 BURR J. G.

  DOI：——

  日期：——