4-Methoxyphenyl 5-chloro-2-oxobenzo[d]oxazole-3(2H)-carboxylate | 1349070-60-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 4-Methoxyphenyl 5-chloro-2-oxobenzo[d]oxazole-3(2H)-carboxylate
• 英文别名: (4-methoxyphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
• CAS: 1349070-60-5
• 化学式: C₁₅H₁₀ClNO₅
• 分子量: 319.701
• InChiKey: WVRAPEFSOXYUMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• [EN] DIPHOSPHATE MIMETICS AND USES THEREOF<br/>[FR] MIMÉTIQUES DE DIPHOSPHATE ET LEURS UTILISATIONS
  申请人：HARVARD COLLEGE

  公开号：WO2013006758A1

  公开（公告）日：2013-01-10

  The present invention provides compounds of Formulae (I)-(V), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. In one aspect, compounds of the present invention are useful as glycosyltransferase inhibitors, in particular, O-linked N- acetylglucosamine (O-GlcNAc) transferase (OGT) inhibitors. In another aspect, compounds of the present invention are useful as kinase inhibitors, in particular, PLKl inhibitors, GSK3P inhibitors, or MAPKAPK2 inhibitors. The present invention further provides methods of using the inventive compounds, e.g., as biological probes to study the inhibition of OGT and/or kinase activity and as therapeutics, e.g., for the treatment of OGT-associated and/or kinase-associated conditions.

  本发明提供了式（I）-（V）的化合物，其药学上可接受的盐以及药物组合物。在一个方面，本发明的化合物可用作糖基转移酶抑制剂，特别是O-连接N-乙酰葡萄糖胺（O-GlcNAc）转移酶（OGT）抑制剂。在另一个方面，本发明的化合物可用作激酶抑制剂，特别是PLKl抑制剂、GSK3P抑制剂或MAPKAPK2抑制剂。本发明还提供了使用创新化合物的方法，例如作为生物探针来研究OGT和/或激酶活性的抑制，以及作为治疗剂，例如用于治疗与OGT相关和/或激酶相关的疾病。
• DIPHOSPHATE MIMETICS AND USES THEREOF
  申请人：Kahne Suzanne Walker

  公开号：US20140163079A1

  公开（公告）日：2014-06-12

  The present invention provides compounds of Formulae (I)-(V), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. In one aspect, compounds of the present invention are useful as glycosyltransferase inhibitors, in particular, O-linked N-acetylglucosamine (O-GlcNAc) transferase (OGT) inhibitors. In another aspect, compounds of the present invention are useful as kinase inhibitors, in particular, PLK1 inhibitors, GSK3P inhibitors, or MAPKAPK2 inhibitors. The present invention further provides methods of using the inventive compounds, e.g., as biological probes to study the inhibition of OGT and/or kinase activity and as therapeutics, e.g., for the treatment of OGT-associated and/or kinase-associated conditions.
• US9573911B2
  申请人：——

  公开号：US9573911B2

  公开（公告）日：2017-02-21