5-Methyl-N-[(2R)-1-oxo-1-[[(3R)-pyrrolidin-3-yl]amino]-3-[6-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]propan-2-yl]-4-propylthiophene-2-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-Methyl-N-[(2R)-1-oxo-1-[[(3R)-pyrrolidin-3-yl]amino]-3-[6-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]propan-2-yl]-4-propylthiophene-2-carboxamide
• 英文别名: 5-methyl-N-[(2R)-1-oxo-1-[[(3R)-pyrrolidin-3-yl]amino]-3-[6-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]propan-2-yl]-4-propylthiophene-2-carboxamide
• 化学式: C₂₈H₃₁F₃N₄O₃S
• 分子量: 560.6
• InChiKey: PMTLKNOARSHUJB-ZJSXRUAMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• COMPOSITIONS AND METHODS FOR PROGNOSIS AND TREATMENT OF CANCER
  申请人：NOVAZOI THERANOSTICS

  公开号：US20150160222A1

  公开（公告）日：2015-06-11

  A method of diagnosing and/or treating a patient diagnosed with breast cancer includes the steps of: (a) identifying a patient as having a triple negative breast cancer; (b) obtaining a sample from the triple negative breast cancer patient comprising breast cancer cells; and (c) determining whether the cells in the sample express an elevated level of nuclear HSET, wherein an elevated level indicates a poorer prognosis. The method may further include the step of determining whether the cells in the sample express elevated level(s) of one or more products upregulated with HSET, elevated levels of phosphorylated histone-H3 and/or exhibit enhanced Cdk1 activity. In certain embodiments, the method further includes the step of administering one or more therapeutic agents, such as HSET inhibitors, centrosome declustering agents, PARP inhibitors, Ras/MAPK pathway inhibitors, PI3K/AKT/mTOR pathway inhibitors or a combination thereof.