(3aR,5S,6S,7R,7aR)-6,7-bis[(4-methoxyphenyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carboxylic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3aR,5S,6S,7R,7aR)-6,7-bis[(4-methoxyphenyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carboxylic acid
• 化学式: C₂₈H₃₃NO₉S
• 分子量: 559.6
• InChiKey: BJFOJJFMNDJHRZ-ZDTQQCKLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  147
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• [EN] PERMEABLE GLYCOSIDASE INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE GLYCOSIDASE PERMÉABLES ET LEURS UTILISATIONS
  申请人：MERCK SHARP & DOHME

  公开号：WO2013166654A1

  公开（公告）日：2013-11-14

  Disclosed are compounds of Formula (I), wherein each substituent of Formula (I) is defined as in the specification, pharmaceutical formulations comprising these compounds which are useful as 0-linked N-acetylglucosaminidase (O-GlcNAcase) inhibitors, and thus are useful for the treatment of certain disorders such as Alzheimer' s disease including reducing NFTs and/or hyperphosphorylated tau. Also disclosed is the use of the compounds as O-GlcNAcase imaging agents.

  本文披露了式（I）的化合物，其中式（I）的每个取代基如规范中定义，包括这些化合物的制药配方，这些化合物可用作0-连接的N-乙酰葡萄糖苷酶（O-GlcNAcase）抑制剂，因此可用于治疗某些疾病，如阿尔茨海默病，包括减少NFTs和/或磷酸化过度的tau。还披露了将这些化合物用作O-GlcNAcase成像剂的用途。
• [EN] GLYCOSIDASE INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE GLYCOSIDASES ET LEURS UTILISATIONS
  申请人：MERCK SHARP & DOHME

  公开号：WO2014100934A1

  公开（公告）日：2014-07-03

  The compounds with enhanced permeability for selectively inhibiting glycosidases, prodrugs of the compounds, and pharmaceutical compositions including the compounds or prodrugs of the compounds are provided. The methods of treating diseases and disorders related to deficiency or overexpression of O-GlcNAcase, accumulation or deficiency of O-GlcNAc are also provided.

  提供了增强渗透性以选择性抑制糖苷酶的化合物，这些化合物的前药，以及包括这些化合物或其前药的药物组合物。还提供了治疗与O-GlcNA酶缺乏或过度表达、O-GlcNAc的积累或缺乏相关的疾病和紊乱的方法。
• [EN] GLYCOSIDASE INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE LA GLYCOSIDASE ET LEURS UTILISATIONS
  申请人：MERCK SHARP & DOHME

  公开号：WO2014105662A1

  公开（公告）日：2014-07-03

  The invention provides compounds with enhanced permeability for selectively inhibiting glycosidases, prodrugs of the compounds, and pharmaceutical compositions including the compounds or prodrugs of the compounds. The invention also provides methods of treating diseases and disorders related to deficiency or overexpression of O-GlcNAcase, accumulation or deficiency of O-GlcNAc.

  该发明提供了具有增强渗透性的化合物，用于选择性抑制糖苷酶，这些化合物的前药，以及包括这些化合物或这些化合物的前药的药物组合物。该发明还提供了治疗与O-GlcNAcase缺乏或过度表达、O-GlcNAc的积累或缺乏相关的疾病和紊乱的方法。
• PERMEABLE GLYCOSIDASE INHIBITORS AND USES THEREOF
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150152127A1

  公开（公告）日：2015-06-04

  The present invention is directed to compounds and pharmaceutical formulations comprising these compounds which are useful as O-linked N-acetylglucosaminidase (O-GlcNAcase) inhibitors, and thus may be useful for the treatment of certain disorders such as Alzheimer's disease including reducing NFTs and/or hyperphosphorylated tau. The invention is also directed to use of the compounds as O-GlcNAcase imaging agents.

  本发明涉及化合物和制药配方，其中包括这些化合物，这些化合物可用作O-链接N-乙酰葡萄糖胺酶（O-GlcNAcase）抑制剂，因此可能有助于治疗某些疾病，例如阿尔茨海默病，包括减少NFTs和/或过度磷酸化的tau。本发明还涉及将这些化合物用作O-GlcNAcase成像剂。
• GLYCOSIDASE INHIBITORS AND USES THEREOF
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2935283A1

  公开（公告）日：2015-10-28