(3S,5R,10R,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (3S,5R,10R,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
• 化学式: C₃₀H₄₄O₉
• 分子量: 548.7
• InChiKey: PMTSPAGBAFCORP-DGORKHCUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  132
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• <SUP2/>? <SUB2/>?+? ?NA/K <NS1:SUP>+</NS1:SUP>?ATPASE INHIBITORS FOR USE IN THE PREVENTION OR TREATMENT OF METASTASIS
  申请人：Universität Basel

  公开号：EP3897657A2

  公开（公告）日：2021-10-27
• [EN] NA+/K+ ATPASE INHIBITORS FOR USE IN THE PREVENTION OR TREATMENT OF METASTASIS<br/>[FR] INHIBITEURS DE NA + K + ATPASE DESTINÉS À ÊTRE UTILISÉS DANS LA PRÉVENTION OU LE TRAITEMENT DE MÉTASTASES
  申请人：UNIV BASEL

  公开号：WO2020127943A2

  公开（公告）日：2020-06-25

  The invention relates to an Na+/K+ ATPase inhibitor for use in the prevention or treatment of metastasis in a cancer patient defined by the presence of CTC clusters in the bloodstream. In certain embodiments the Na+/K+ ATPase is a cardiac glycoside and is selected from: digitoxin, ouabain, convallatoxin, proscillaridin, lanatoside C, gitoformate, peruvoside, strophanthidin, metildigoxin, deslanoside, bufalin, digoxin and digoxigenin. The invention further relates to the use of nucleic acid agents inhibiting the expression of genes related to CTC cluster formation and maintenance.