[(3aR,5S,6S,7R,7aR)-5-[(1R)-1-(4-aminophenoxy)-2,2,2-trifluoroethyl]-6,7-bis(phenylmethoxy)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-methylcarbamic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [(3aR,5S,6S,7R,7aR)-5-[(1R)-1-(4-aminophenoxy)-2,2,2-trifluoroethyl]-6,7-bis(phenylmethoxy)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-methylcarbamic acid
• 化学式: C₃₀H₃₀F₃N₃O₆S
• 分子量: 617.6
• InChiKey: GRMBENREULCLRK-HPRPSTAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  12

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。
• 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。
• US9611275B2
  申请人：——

  公开号：US9611275B2

  公开（公告）日：2017-04-04