[6-[4-(5,7-Dihydroxy-4-oxochromen-3-yl)phenoxy]-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: [6-[4-(5,7-Dihydroxy-4-oxochromen-3-yl)phenoxy]-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
• 英文别名: [6-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
• 化学式: C₂₄H₂₅NO₁₀
• 分子量: 487.5
• InChiKey: VQIPFQPSZMWSNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  167
• 氢给体数：
  4
• 氢受体数：
  10

文献信息

• Foam cell specific Liver X Receptor (LXR) alpha agonist, SIRT1 inhibitors as well as p300 inhibitors as pharmaceutically active agents
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP2759295A1

  公开（公告）日：2014-07-30

  The present invention relates to compound (I) and its stereoisomeric forms, prodrugs, solvates, hydrates and/or pharmaceutically acceptable salts of these compounds as well as pharmaceutical compositions containing at least one of these compounds together with pharmaceutically acceptable other LXRα agonist, carrier, excipient and/or diluents. Said compound (I), an LXRα agonist has been identified as useful for the prophylaxis and treatment of atherosclerosis and cardiovascular diseases. Further, the present invention refers to compound (II) and its stereoisomeric forms, prodrugs, solvates, hydrates and/or pharmaceutically acceptable salts of these compounds as well as pharmaceutical compositions containing at least one of these compounds together with pharmaceutically acceptable carrier, excipient and/or diluents. Said compound (II), a SIRT1 inhibitor has been identified as useful for the prophylaxis and treatment of neurodegenerative diseases or cancer. Furthermore, the present invention discloses compound (III) and its stereoisomeric forms, prodrugs, solvates, hydrates and/or pharmaceutically acceptable salts of these compounds as well as pharmaceutical compositions containing at least one of these compounds together with pharmaceutically acceptable carrier, excipient and/or diluents. Said compound (III), a p300 inhibitor has been identified as useful for the prophylaxis and treatment of cancer, metabolic, inflammatory, neurodegenerative or cardiovascular diseases.

  本发明涉及化合物（I）及其立体异构体、原药、溶液剂、水合物和/或这些化合物的药学上可接受的盐，以及含有至少一种这些化合物和药学上可接受的其他 LXRα 激动剂、载体、赋形剂和/或稀释剂的药物组合物。所述化合物（I）是一种 LXRα 激动剂，已被确认可用于预防和治疗动脉粥样硬化和心血管疾病。 此外，本发明还涉及化合物（II）及其立体异构体、原药、溶液剂、水合物和/或这些化合物的药学上可接受的盐，以及含有至少一种这些化合物和药学上可接受的载体、赋形剂和/或稀释剂的药物组合物。所述化合物（II）是一种 SIRT1 抑制剂，已被确认可用于预防和治疗神经退行性疾病或癌症。 此外，本发明还公开了化合物（III）及其立体异构体、原药、溶液剂、水合物和/或这些化合物的药学上可接受的盐，以及含有至少一种这些化合物和药学上可接受的载体、赋形剂和/或稀释剂的药物组合物。所述化合物（III）是一种 p300 抑制剂，已被确认可用于预防和治疗癌症、代谢性疾病、炎症、神经退行性疾病或心血管疾病。