(E)-ethyl 3-((3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-(methylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazol-5-yl)acrylate | 1616508-99-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-ethyl 3-((3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-(methylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazol-5-yl)acrylate
• 英文别名: ethyl (E)-3-[(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]prop-2-enoate
• CAS: 1616508-99-6
• 化学式: C₁₂H₁₈N₂O₅S
• 分子量: 302.351
• InChiKey: YOEADKSYOYWZNC-URLZGEEHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (E)-ethyl 3-((3aR,5R,6R,7R,7aR)-2-(tert-butoxycarbonyl(methyl)amino)-6,7-bis(4-methoxybenzyloxy)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazol-5-yl)acrylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以40%的产率得到(E)-ethyl 3-((3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-(methylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazol-5-yl)acrylate
  参考文献：
  名称：

  [EN] GLYCOSIDASE INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE GLYCOSIDASES ET LEURS UTILISATIONS

  摘要：

  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。

  公开号：

  WO2014100934A1

文献信息

• [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。
• GLYCOSIDASE INHIBITORS AND USES THEREOF
  申请人：MEADWESTVACO PACKAGING SYSTEMS, LLC

  公开号：US20160194337A1

  公开（公告）日：2016-07-07

  A locking arrangement secures together first and second panels. The arrangement includes locking tabs ( 54, 56, 58 ) projecting from an end edge ( 64 ) of the first panel ( 12 ) and locking slits ( 50 a, 50 b, 50 c ) in the second panel ( 28 ). Each locking slit is provided for receiving a respective one of the locking tabs. The locking tabs and the locking slits are engageable by relative sliding movement with each other. At least one of the locking tabs and locking slits is configured to secure the first and second panels in a first overlapping position while at least another one of the locking tabs and locking slits is configured to secure the first and second panels in a second overlapping position.
• US9938299B2
  申请人：——

  公开号：US9938299B2

  公开（公告）日：2018-04-10
• [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。