6-(4-(2-(4-(1H-tetrazol-1-yl)phenoxy)acetyl)piperazin-1-ylsulfonyl)-3,5-dimethylbenzo[d]oxazol-2(3H)-one | 1254707-50-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-(4-(2-(4-(1H-tetrazol-1-yl)phenoxy)acetyl)piperazin-1-ylsulfonyl)-3,5-dimethylbenzo[d]oxazol-2(3H)-one
• 英文别名: 3,5-Dimethyl-6-[4-[2-[4-(tetrazol-1-yl)phenoxy]acetyl]piperazin-1-yl]sulfonyl-1,3-benzoxazol-2-one
• CAS: 1254707-50-0
• 化学式: C₂₂H₂₃N₇O₆S
• 分子量: 513.534
• InChiKey: DEMBGBLWFIUMFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  148
• 氢给体数：
  0
• 氢受体数：
  10

文献信息

• THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE
  申请人：Salituro Francesco G.

  公开号：US20120165324A1

  公开（公告）日：2012-06-28

  Compositions comprising compounds that modulate pyruvate kinase M2 (PKM2) are described herein. Also described herein are methods of using the compounds that modulate PKM2 in the treatment of cancer.

  本文介绍了包含调节丙酮酸激酶M2（PKM2）的化合物的组合物。本文还介绍了使用调节PKM2的化合物治疗癌症的方法。
• PKM2 ACTIVATORS FOR USE IN THE TREATMENT OF CANCER
  申请人：Agios Pharmaceuticals, Inc.

  公开号：EP2427441B1

  公开（公告）日：2016-12-14
• PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER
  申请人：Salituro Francesco G.

  公开号：US20120122849A1

  公开（公告）日：2012-05-17

  Compounds that modulate pyruvate kinase M2 (PKM2) are described herein. Also described herein are pharmaceutical compositions comprising the compounds, and methods of using the compounds in the treatment of cancer.
• ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE
  申请人：AGIOS PHARMACEUTICALS, INC

  公开号：US20170007608A1

  公开（公告）日：2017-01-12

  The invention described herein features methods, compositions, and kits that utilize activators of pyruvate kinase M2 (PKM2) for the treatment or amelioration of disorders related to PKM2 function and characterized by abnormally low levels of serine.
• US8501953B2
  申请人：——

  公开号：US8501953B2

  公开（公告）日：2013-08-06