[4-[[(5-chloro-1H-pyrazole-3-carbonyl)-(cyclobutylmethyl)amino]methyl]-3-fluorophenyl] 2-amino-2-methylbutanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: [4-[[(5-chloro-1H-pyrazole-3-carbonyl)-(cyclobutylmethyl)amino]methyl]-3-fluorophenyl] 2-amino-2-methylbutanoate
• 化学式: C₂₁H₂₆ClFN₄O₃
• 分子量: 436.9
• InChiKey: XIRXRZMLUSIGCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• PKM2 MODULATORS AND METHODS FOR THEIR USE
  申请人：TOLERO PHARMACEUTICALS, INC.

  公开号：US20150344436A1

  公开（公告）日：2015-12-03

  Compounds having activity as PKM2 activators are disclosed. The compounds have the following structure (I): including stereoisomers, tautomers, pharmaceutically acceptable salts and prodrugs thereof, wherein R1, R2, R3, R4, R5 and R6 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  本发明揭示了具有PKM2激活剂活性的化合物。该化合物具有以下结构（I）：包括立体异构体、互变异构体、药学上可接受的盐和其前药，其中R1、R2、R3、R4、R5和R6如本文所定义。本发明还揭示了与制备和使用这种化合物相关的方法，以及包含这种化合物的制药组合物。
• PKM2 modulators and methods for their use
  申请人：Tolero Pharmaceuticals, Inc.

  公开号：US10207996B2

  公开（公告）日：2019-02-19

  Compounds having activity as PKM2 activators are disclosed. The compounds have the following structure (I): including stereoisomers, tautomers, pharmaceutically acceptable salts and prodrugs thereof, wherein R1, R2, R3, R4, R5 and R6 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  本研究公开了具有 PKM2 激活剂活性的化合物。这些化合物具有以下结构 (I)： 其中 R1、R2、R3、R4、R5 和 R6 如本文所定义。此外，还公开了与制备和使用此类化合物相关的方法，以及包含此类化合物的药物组合物。
• EP2909181B1
  申请人：——

  公开号：EP2909181B1

  公开（公告）日：2017-08-09
• PKM2 ACTIVATORS IN COMBINATION WITH REACTIVE OXYGEN SPECIES FOR TREATMENT OF CANCER
  申请人：TOLERO PHARMACEUTICALS, INC.

  公开号：US20200237766A1

  公开（公告）日：2020-07-30

  Combination therapies for treatment of cancer are provided. The disclosed methods comprise administration of a PKM2 activator and an anti-cancer drug having a mechanism of action that increases production of reactive oxygen species in cancer cells to a patient in need thereof.
• US9394257B2
  申请人：——

  公开号：US9394257B2

  公开（公告）日：2016-07-19