diphosphoric acid mono-[2t-((E)-4,8-dimethyl-nona-3,7-dienyl)-2c-methyl-3t-((1E,5E)-2,6,10-trimethyl-undeca-1,5,9-trienyl)-cycloprop-r-ylmethyl] ester | 29849-75-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: diphosphoric acid mono-[2t-((E)-4,8-dimethyl-nona-3,7-dienyl)-2c-methyl-3t-((1E,5E)-2,6,10-trimethyl-undeca-1,5,9-trienyl)-cycloprop-r-ylmethyl] ester
• 英文别名: Presqualen-pyrophosphat；Praesqualen；presqualene；[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methyl phosphono hydrogen phosphate
• CAS: 29849-75-0；68297-43-8
• 化学式: C₃₀H₅₂O₇P₂
• 分子量: 586.686
• InChiKey: ATZKAUGGNMSCCY-VHAZJVCSSA-N

物化性质

• 沸点：
  665.2±63.0 °C(Predicted)
• 密度：
  1.121±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  39
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  diphosphoric acid mono-[2t-((E)-4,8-dimethyl-nona-3,7-dienyl)-2c-methyl-3t-((1E,5E)-2,6,10-trimethyl-undeca-1,5,9-trienyl)-cycloprop-r-ylmethyl] ester 在 铂 lithium aluminium tetrahydride 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成 [(1S,2S,3S)-2-(4,8-Dimethyl-nonyl)-2-methyl-3-(2,6,10-trimethyl-undecyl)-cyclopropyl]-methanol
  参考文献：
  名称：

  Mechanism of squalene biosynthesis. Presqualene, a pyrophosphorylated precursor to squalene

  摘要：

  DOI：

  10.1021/ja01032a052

文献信息

• CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY
  申请人：Cheng Jianjun

  公开号：US20130190450A1

  公开（公告）日：2013-07-25

  The present invention relates to novel compositions of therapeutic cyclodextrin containing polymeric compounds designed as a carrier for small molecule therapeutics delivery and pharmaceutical compositions thereof. These cyclodextrin-containing polymers improve drug stability and solubility, and reduce toxicity of the small molecule therapeutic when used in vivo. Furthermore, by selecting from a variety of linker groups and targeting ligands the polymers present methods for controlled delivery of the therapeutic agents. The invention also relates to methods of treating subjects with the therapeutic compositions described herein. The invention further relates to methods for conducting pharmaceutical business comprising manufacturing, licensing, or distributing kits containing or relating to the polymeric compounds described herein.

  本发明涉及一种新型的治疗环糊精含聚合物组成物，设计为小分子治疗药物传递的载体，以及其制药组合物。这些含环糊精聚合物可以提高药物的稳定性和溶解性，并在体内使用时降低小分子治疗药物的毒性。此外，通过从各种连接基团和靶向配体中进行选择，这些聚合物提供了治疗剂的控制传递方法。本发明还涉及使用所述治疗组合物治疗受试者的方法。本发明还涉及制药业务的方法，包括制造、许可或分发包含或涉及所述聚合物化合物的试剂盒。
• METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS
  申请人：Vanderbilt University

  公开号：EP2931277A1

  公开（公告）日：2015-10-21
• METHODS AND COMPOSITIONS OF TREATING HIV INFECTION
  申请人：Vanderbilt University

  公开号：EP2931040A1

  公开（公告）日：2015-10-21
• ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS
  申请人：Lindsley Craig W.

  公开号：US20150025041A1

  公开（公告）日：2015-01-22

  Disclosed are methods of treating viral infections comprising, in one aspect, administering compounds that are phospholipase D inhibitors. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention. In accordance with the purpose(s) of the invention, as embodied and broadly described herein, the invention, in one aspect, relates to antiviral therapies. For example, compounds having Phospholipase D activity (e.g., isoform selective Phospholipase D inhibitors) can be useful in antiviral therapies (e.g., influenza treatments).
• Methods and Compositions for Treating HIV Infection
  申请人：Vanderbilt University

  公开号：US20160296506A1

  公开（公告）日：2016-10-13

  Disclosed are methods of treating HIV infections comprising, in one aspect, administering compounds that are phospholipase D inhibitors. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.