(R)-3-[3,4-dimethoxyphenyl]-1-{3-[2-(3-hydroxypropylamino)-1-oxoethoxy]phenyl}propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate | 919519-64-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (R)-3-[3,4-dimethoxyphenyl]-1-{3-[2-(3-hydroxypropylamino)-1-oxoethoxy]phenyl}propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
• 英文别名: (S)-{(R)-3-[3,4-dimethoxyphenyl]-1-{3-[2-(3-hydroxypropylamino)-2-oxoethoxy]phenyl}propyl}-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate；[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-(3-hydroxypropylamino)-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
• CAS: 919519-64-5
• 化学式: C₃₅H₄₈N₂O₉
• 分子量: 640.774
• InChiKey: XAJSLKVDBYXZGG-WUFINQPMSA-N

物化性质

• 密度：
  1.180±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  46
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N-[(2R,3S)-3-氨基-2-羟基-4-苯基丁基]-N-(2-甲基丙基)-4-硝基- 苯磺酰胺盐酸盐 、 (R)-3-[3,4-dimethoxyphenyl]-1-{3-[2-(3-hydroxypropylamino)-1-oxoethoxy]phenyl}propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate 、 N,N'-羰基二咪唑 在 crude residue 、 甲醇 、 二氯甲烷 作用下， 以 乙酸乙酯 为溶剂， 反应 24.0h， 以to afford conjugate 22 (10 mg, 7%) as a light yellow foam的产率得到(S)-{(R)-1-{3-[(10S,11R)-10-benzyl-11-hydroxy-15-methyl-13-(4-nitrophenylsulfonyl)-2,8-dioxo-7-oxa-3,9,13-triazahexadecyloxy]phenyl}-3-(3,4-dimethoxyphenyl)propyl} 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
  参考文献：
  名称：

  PROTEASE INHIBITORS

  摘要：

  本发明提供了一些有用的蛋白酶抑制剂化合物，以及使用和制备这些化合物的方法和含有这些化合物的组合物。在一种实施方式中，这些化合物可用于抑制HIV蛋白酶酶，因此可用于减缓HIV的增殖。

  公开号：

  US20120041019A1
• 作为产物：
  描述：

  3-氨基-1-丙醇 、 2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-(((S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl)oxy)propyl)phenoxy)acetic acid 在 N-甲基吗啉 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以82%的产率得到(R)-3-[3,4-dimethoxyphenyl]-1-{3-[2-(3-hydroxypropylamino)-1-oxoethoxy]phenyl}propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
  参考文献：
  名称：

  [EN] PROTEASE INHIBITORS
  [FR] INHIBITEURS DES PROTÉASES

  摘要：

  公开号：

  WO2010077317A3

文献信息

• SMALL MOLECULE PRINTING
  申请人：Barnes David W.

  公开号：US20130261023A1

  公开（公告）日：2013-10-03

  The present invention provides compositions and methods to facilitate the identification of compounds that are capable of interacting with a biological macromolecule of interest. In one aspect, a composition is provided that comprises an array of one or more types of chemical compounds attached to a solid support using isocyanate or isothiocyanate chemistry, wherein the density of the array of compounds is at least 1000 spots per cm 2 . In general, these inventive arrays are generated by: (1) providing a solid support, wherein said solid support is functionalized with an isocyanate or isothiocyanate moiety capable of interacting with a desired chemical compound to form a covalent attachment; (2) providing one or more solutions of one or more types of compounds to be attached to the solid support; (3) delivering said one or more types of compounds to the solid support; and (4) catalyzing the attachment of the compound to the solid support, whereby an array is formed and the array of compounds has a density of at least 1000 spots per cm 2 . In another aspect, the present invention provides methods for utilizing these arrays to identify small molecule partners for biological macromolecules of interest.
• [EN] PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DES PROTÉASES
  申请人：AMPLYX PHARMACEUTICALS INC

  公开号：WO2010077317A3

  公开（公告）日：2010-10-28
• PROTEASE INHIBITORS
  申请人：Mutz Mitchell W.

  公开号：US20120041019A1

  公开（公告）日：2012-02-16

  Compounds useful as protease inhibitors are provided, as are methods of use and preparation of such compounds and compositions containing such compounds. In one embodiment, the compounds are useful for inhibiting HIV protease enzymes, and are therefore useful in slowing the proliferation of HIV.

  本发明提供了一些有用的蛋白酶抑制剂化合物，以及使用和制备这些化合物的方法和含有这些化合物的组合物。在一种实施方式中，这些化合物可用于抑制HIV蛋白酶酶，因此可用于减缓HIV的增殖。