1-octadecyl hydrogen ((((R)-1-(6-amino-9H-purin-9-yl)propan-2yl)oxy)methyl)phosphonate

• 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: 1-octadecyl hydrogen ((((R)-1-(6-amino-9H-purin-9-yl)propan-2yl)oxy)methyl)phosphonate
• 英文别名: [(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-octadecoxy-phosphinic acid；[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-octadecoxyphosphinic acid
• 化学式: C₂₇H₅₀N₅O₄P
• 分子量: 539.699
• InChiKey: XUUYCRYVASBRHN-XMMPIXPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  37
• 可旋转键数：
  23
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-碘十八烷 、 泰诺福韦 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 1-octadecyl hydrogen ((((R)-1-(6-amino-9H-purin-9-yl)propan-2yl)oxy)methyl)phosphonate
  参考文献：
  名称：

  [EN] SELF-ASSEMBLED GELS FORMED WITH ANTI-RETROVIRAL DRUGS, PRODRUGS THEREOF, AND PHARMACEUTICAL USES THEREOF
  [FR] GELS AUTO-ASSEMBLÉS FORMÉS AVEC DES MÉDICAMENTS ANTI-RÉTROVIRAUX, LEURS PROMÉDICAMENTS ET LEURS UTILISATIONS PHARMACEUTIQUES

  摘要：

  本文描述了自组装凝胶及其制备方法。有机溶剂和可选的水或水溶液之间的选择性比例范围，允许凝胶剂（例如GRAS两性分子或前药基凝胶剂）、共聚凝胶剂（例如抗逆转录病毒药物）和溶剂组合形成自支撑水凝胶或有机凝胶。所得到的凝胶可以用于治疗HIV和/或肝炎的方法。

  公开号：

  WO2018144991A1

文献信息

• [EN] NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO<br/>[FR] COMPOSITIONS THÉRAPEUTIQUES RENFERMANT DES NUCLÉOTIDES ET DES NUCLÉOSIDES ET UTILISATIONS ASSOCIÉES
  申请人：UNIV EMORY

  公开号：WO2014124430A1

  公开（公告）日：2014-08-14

  This disclosure relates to nucleotide and nucleoside therapeutic compositions and uses related thereto. In certain embodiments, the disclosure relates to halogenated nucleosides optionally conjugated to a phosphorus oxide or pharmaceutically acceptable salts thereof. In certain embodiments, the disclosure relates to conjugate compounds or pharmaceutically acceptable salts thereof comprising an amino acid ester or a sphingolipid or derivative linked by a phosphorus oxide to a nucleotide or nucleoside. In certain embodiments, the disclosure contemplates pharmaceutical compositions comprising these compounds for uses in treating infectious diseases, viral infections, and cancer.

  这项披露涉及核苷酸和核苷类治疗组合物及其相关用途。在某些实施例中，该披露涉及卤代核苷，可选择地与磷氧化物或其药用可接受盐结合。在某些实施例中，该披露涉及结合物或其药用可接受盐，包括通过磷氧化物与核苷酸或核苷相连的氨基酸酯或鞘脂类或衍生物。在某些实施例中，该披露考虑了包括这些化合物的药用组合物，用于治疗传染病、病毒感染和癌症。
• Self-assembled gels formed with anti-retroviral drugs, prodrugs thereof, and pharmaceutical uses thereof
  申请人：The Brigham and Women's Hospital, Inc.

  公开号：US11020410B2

  公开（公告）日：2021-06-01

  Self-assembled gels and methods of making thereof are described. A selective range of ratios between an organic solvent and optionally water, or an aqueous solution, allows for combinations of gelators (such as GRAS amphiphiles or prodrug-based gelators), co-gelators (such as anti-retrovirals), and solvents to form self-supporting hydrogels or organogels. The resulting gels may be used in methods of treating HIV and/or hepatitis.

  本文介绍了自组装凝胶及其制造方法。有机溶剂与水或水溶液之间的选择性比例范围允许凝胶剂（如 GRAS 两性化合物或基于原药的凝胶剂）、共凝胶剂（如抗逆转录病毒药物）和溶剂组合形成自支撑水凝胶或有机凝胶。所得凝胶可用于治疗艾滋病毒和/或肝炎的方法。
• SELF-ASSEMBLED GELS FORMED WITH ANTI-RETROVIRAL DRUGS, PRODRUGS THEREOF, AND PHARMACEUTICAL USES THEREOF
  申请人：The Brigham and Women's Hospital, Inc.

  公开号：US20210315912A1

  公开（公告）日：2021-10-14

  Self-assembled gels and methods of making thereof are described. A selective range of ratios between an organic solvent and optionally water, or an aqueous solution, allows for combinations of gelators (such as GRAS amphiphiles or prodrug-based gelators), co-gelators (such as anti-retrovirals), and solvents to form self-supporting hydrogels or organogels. The resulting gels may be used in methods of treating HIV and/or hepatitis.
• Nucleoside Prodrugs and Uses Related Thereto
  申请人：Emory University

  公开号：US20220298185A1

  公开（公告）日：2022-09-22

  Disclosed are acyclic nucleoside prodrugs with improved metabolic stability and oral bioavailability. In general, the prodrugs are derivatives of acyclic nucleoside phosphonates containing a lipid-like moiety that can increase oral absorption and subsequent stability in the liver and plasma. Preferably, the lipid-like moiety can resist enzyme-mediated ω-oxidation, such as ω-oxidation catalyzed by cytochrome P450 enzymes. Also disclosed are pharmaceutical formulations of the acyclic nucleoside prodrugs. The acyclic nucleoside prodrugs and pharmaceutical formulations thereof can be used to treat viral infections, such as HIV infections, and/or viral-associated cancer, such as HPV-associated cancers.
• [EN] SELF-ASSEMBLED GELS FORMED WITH ANTI-RETROVIRAL DRUGS, PRODRUGS THEREOF, AND PHARMACEUTICAL USES THEREOF<br/>[FR] GELS AUTO-ASSEMBLÉS FORMÉS AVEC DES MÉDICAMENTS ANTI-RÉTROVIRAUX, LEURS PROMÉDICAMENTS ET LEURS UTILISATIONS PHARMACEUTIQUES
  申请人：BRIGHAM & WOMENS HOSPITAL INC

  公开号：WO2018144991A1

  公开（公告）日：2018-08-09

  Self-assembled gels and methods of making thereof are described. A selective range of ratios between an organic solvent and optionally water, or an aqueous solution, allows for combinations of gelators (such as GRAS amphiphiles or prodrug-based gelators), co-gelators (such as anti-retrovirals), and solvents to form self-supporting hydrogels or organogels. The resulting gels may be used in methods of treating HIV and/or hepatitis.

  本文描述了自组装凝胶及其制备方法。有机溶剂和可选的水或水溶液之间的选择性比例范围，允许凝胶剂（例如GRAS两性分子或前药基凝胶剂）、共聚凝胶剂（例如抗逆转录病毒药物）和溶剂组合形成自支撑水凝胶或有机凝胶。所得到的凝胶可以用于治疗HIV和/或肝炎的方法。