3-(hexadecyloxy)propyl hydrogen [2-(adenin-9-yl)ethoxy]methylphosphonate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 3-(hexadecyloxy)propyl hydrogen [2-(adenin-9-yl)ethoxy]methylphosphonate
• 英文别名: 1-O-hexadecylpropanediol-3-ADV；hexadecyloxypropyl-adefovir；2-(6-Aminopurin-9-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid
• 化学式: C₂₇H₅₀N₅O₅P
• 分子量: 555.698
• InChiKey: VXARBLVMQSRVFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  38
• 可旋转键数：
  25
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  bis[3-(hexadecyloxy)propyl] [2-(adenin-9-yl)ethoxy]methylphosphonate 在 叠氮化锂 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以92%的产率得到3-(hexadecyloxy)propyl hydrogen [2-(adenin-9-yl)ethoxy]methylphosphonate
  参考文献：
  名称：

  Synthesis of phosphonomethoxyethyl or 1,3-bis(phosphonomethoxy)propan-2-yl lipophilic esters of acyclic nucleoside phosphonates

  摘要：

  A new alternative synthetic pathway towards mono and diesters of acyclic nucleoside phosphonates (PMEA, PMEC and PMEG) or [1,3-bis(phosphonomethoxy) propan-2-yl] adenine bearing one or two hexadecyloxypropyl ester groups (CH2)(3)O-n-C16H33 is reported. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.08.081

文献信息

• PHOSPHONATE COMPOUNDS
  申请人：——

  公开号：US20040019232A1

  公开（公告）日：2004-01-29

  The present invention relates to phosphonate compounds, compositions containing them, processes for obtaining them, and their use for treating a variety of medical disorders, e.g., osteoporosis and other disorders of bone metabolism, cancer, viral infections, and the like.

  本发明涉及膦酸酯化合物、含有它们的组合物、获取它们的方法，以及它们用于治疗各种医学疾病，例如骨质疏松症和其他骨代谢紊乱、癌症、病毒感染等的用途。
• Phosphonate compounds
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20040127735A1

  公开（公告）日：2004-07-01

  The present invention relates to phosphonate compounds, compositions containing them, processes for obtaining them, and their use for treating a variety of medical disorders, e.g., osteoporosis and other disorders of bone metabolism, cancer, viral infections, and the like.

  本发明涉及膦酸盐化合物、含有它们的组合物、制备它们的方法以及它们用于治疗多种医学疾病的应用，例如骨质疏松和其他骨代谢紊乱、癌症、病毒感染等。
• Compounds, compositions and methods for the treatment of viral infections and other medical disorders
  申请人：Almond R. Merrick

  公开号：US20070003608A1

  公开（公告）日：2007-01-04

  The present application provides methods and compositions for improving the bioavailability of a lipid-containing antiviral compound, and in particular, an antiviral lipid-containing compound. In one embodiment, pharmaceutically acceptable compositions are provided that include an antiviral lipid-containing compound, or salt, ester, or prodrug thereof and one or more bioavailability enhancing compounds, such as inhibitors of cytochrome P450 enzymes.

  本申请提供了一种提高含脂质抗病毒化合物的生物利用度的方法和组合物，尤其是一种含脂质抗病毒化合物。在一种实施例中，提供了药学上可接受的组合物，其中包括一种含脂质抗病毒化合物或其盐、酯或前药，以及一种或多种生物利用度增强化合物，例如细胞色素P450酶抑制剂。
• Phosphonate Compounds
  申请人：Hostetler Karl Y.

  公开号：US20120058975A1

  公开（公告）日：2012-03-08

  The present invention relates to phosphonate compounds, compositions containing them, processes for obtaining them, and their use for treating a variety of medical disorders, e.g., osteoporosis and other disorders of bone metabolism, cancer, viral infections, and the like.

  本发明涉及膦酸盐化合物、包含它们的组合物、获取它们的过程以及它们用于治疗多种医学疾病的用途，例如骨质疏松和其他骨代谢紊乱、癌症、病毒感染等。
• COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS AND OTHER MEDICAL DISORDERS
  申请人：Almond Merrick R.

  公开号：US20110015149A1

  公开（公告）日：2011-01-20

  The present application provides methods and compositions for improving the bioavailability of a lipid-containing antiviral compound, and in particular, an antiviral lipid-containing compound. In one embodiment, pharmaceutically acceptable compositions are provided that include an antiviral lipid-containing compound, or salt, ester, or prodrug thereof and one or more bioavailability enhancing compounds, such as inhibitors of cytochrome P450 enzymes.

  本申请提供了一种改善含脂质抗病毒化合物的生物利用度的方法和组合物，特别是一种含脂质抗病毒化合物。在一种实施方式中，提供了药学上可接受的组合物，包括一种含脂质抗病毒化合物或其盐、酯或前药，以及一种或多种生物利用度增强化合物，例如细胞色素P450酶抑制剂。