(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl (4S,5R)-5-{[(1,3-benzodioxol-5-ylsulfonyl)(cyclopentylmethyl)amino]methyl}-4-[4-(benzyloxy)benzyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate | 313682-62-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl (4S,5R)-5-{[(1,3-benzodioxol-5-ylsulfonyl)(cyclopentylmethyl)amino]methyl}-4-[4-(benzyloxy)benzyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• 英文别名: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4S,5R)-5-[[1,3-benzodioxol-5-ylsulfonyl(cyclopentylmethyl)amino]methyl]-2,2-dimethyl-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate
• CAS: 313682-62-1
• 化学式: C₄₀H₄₈N₂O₁₀S
• 分子量: 748.895
• InChiKey: UJGQYLOUQNQKTR-CLAHPWQBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  53
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  131
• 氢给体数：
  0
• 氢受体数：
  11

文献信息

• INHIBITORS OF ASPARTYL PROTEASE
  申请人：Hale Michael R.

  公开号：US20090274650A1

  公开（公告）日：2009-11-05

  The present invention relates to a novel class of sulfonamides which are aspartyl protease inhibitors. In one embodiment, this invention relates to a novel class of HIV aspartyl protease inhibitors characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting HIV-1 and HIV-2 protease activity and consequently, may be advantageously used as anti-viral agents against the HIV-1 and HIV-2 viruses. This invention also relates to methods for inhibiting the activity of HIV aspartyl protease using the compounds of this invention and methods for screening compounds for anti-HIV activity.

  本发明涉及一种新的磺胺类化合物，它们是天冬氨酸蛋白酶抑制剂。在一种实施例中，本发明涉及一种新的HIV天冬氨酸蛋白酶抑制剂，其具有特定的结构和物理化学特征。本发明还涉及包含这些化合物的制药组合物。本发明的化合物和制药组合物特别适用于抑制HIV-1和HIV-2蛋白酶活性，因此，可以优势地用作抗HIV-1和HIV-2病毒的抗病毒剂。本发明还涉及使用本发明的化合物抑制HIV天冬氨酸蛋白酶活性的方法以及筛选具有抗HIV活性的化合物的方法。
• Inhibitors of aspartyl protease
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP1686113A1

  公开（公告）日：2006-08-02

  The present invention relates to a novel class of sulfonamides which are aspartyl protease inhibitors. In one embodiment, this invention relates to a novel class of HIV aspartyl protease inhibitors characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting HIV-1 and HIV-2 protease activity and consequently, may be advantageously used as anti-viral agents against the HIV-1 and HIV-2 viruses. This invention also relates to methods for inhibiting the activity of HIV aspartyl protease using the compounds of this invention and methods for screening compounds for anti-HIV activity.

  本发明涉及一类新型磺胺类药物，它们是天冬氨酰蛋白酶抑制剂。在一个实施方案中，本发明涉及一类新型 HIV 天冬氨酰蛋白酶抑制剂，其特点是具有特定的结构和理化特征。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适用于抑制 HIV-1 和 HIV-2 蛋白酶的活性，因此可有利地用作抗 HIV-1 和 HIV-2 病毒的抗病毒剂。本发明还涉及使用本发明化合物抑制 HIV 天冬氨酰蛋白酶活性的方法，以及筛选抗 HIV 活性化合物的方法。
• US8455497B2
  申请人：——

  公开号：US8455497B2

  公开（公告）日：2013-06-04