(6S,8R,8aS)-7-azido-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃二恶英
• 英文名称: (6S,8R,8aS)-7-azido-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
• 化学式: C14H17N3O4S
• 分子量: 323.37
• InChiKey: OVBKUYGQHXGJSP-HEVUEJEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  87.6
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Disaccharides for drug discovery
  申请人：Meutermans Wim

  公开号：US20110201794A1

  公开（公告）日：2011-08-18

  Methods are described for the preparation of combinatorial libraries of potentially biologically active disaccharide compounds. These compounds are variously functionalized, with a view to varying lipid solubility size, function an other properties, with the particular aim of discovering novel drug or drug-like compounds, or compounds with useful properties. The invention provides intermediates, processes and synthetic strategies for the solution or solid phase synthesis of disaccharides, variously functionalized about the sugar ring, including the addition of aromaticity and charge, and the placement of pharmaceutically useful groups and isosteres.

  本发明描述了制备可能具有生物活性的二糖化合物组合库的方法。这些化合物具有不同的官能团，旨在改变脂溶性，大小，功能和其他性质，特别是发现新型药物或类似药物的化合物，或具有有用性质的化合物。本发明提供了中间体、过程和合成策略，用于解决或固相合成不同官能团的二糖，包括芳香性和电荷的添加，以及药用有用基团和同分异构体的放置。
• Selective Inhibitors
  申请人：Tometzki B. Gerald

  公开号：US20080009418A1

  公开（公告）日：2008-01-10

  A method of identifying biologically active compounds with defined selectivity profile comprises: (c) designing a library of compounds of formula (1) to scan molecular diversity; and (d) assaying the library of compounds in at least two different biological assays.
• Method of Drug Design
  申请人：Tometzki Gerald B.

  公开号：US20090163373A1

  公开（公告）日：2009-06-25

  The invention provides a method of identifying biologically active compounds comprising: (a) designing a first library of compounds of formula (1) to scan molecular diversity wherein each compound of the library has at least two pharmacophoric groups R1 to R5 as defined below and wherein compound of the library has same number of pharmacophoric groups; (b) assaying the first library of compounds in one or more biological assay(s); and (c) designing a second library wherein each compound of the second library contains one or more additional pharmacophoric group with respect to the first library; such that the/each component of the first and second library is a compound of formula (1).
• METHOD OF DRUG DESIGN
  申请人：Alchemia Limited

  公开号：US20130172210A1

  公开（公告）日：2013-07-04

  The invention provides a method of identifying biologically active compounds comprising: (a) designing a first library of compounds of formula (1) to scan molecular diversity wherein each compound of the library has at least two pharmacophoric groups R1 to R5 as defined below and wherein compound of the library has same number of pharmacophoric groups; (b) assaying the first library of compounds in one or more biological assay(s); and (c) designing a second library wherein each compound of the second library contains one or more additional pharmacophoric group with respect to the first library; such that the/each component of the first and second library is a compound of formula (1).
• Oligosaccharide Compounds
  申请人：Schwoerer Ralf

  公开号：US20140051659A1

  公开（公告）日：2014-02-20

  The invention relates generally to oligosaccharide compounds and the use of these compounds as pharmaceuticals for treating diseases or conditions in which it is desirable to inhibit β-secretase.