4-[2-[2-[4-(1-Adamantyl)phenoxy]acetyl]-1-methylpiperazin-1-ium-1-yl]oxy-4-oxobutanoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[2-[2-[4-(1-Adamantyl)phenoxy]acetyl]-1-methylpiperazin-1-ium-1-yl]oxy-4-oxobutanoic acid
• 英文别名: 4-[2-[2-[4-(1-adamantyl)phenoxy]acetyl]-1-methylpiperazin-1-ium-1-yl]oxy-4-oxobutanoic acid
• 化学式: C27H37N2O6+
• 分子量: 485.6
• InChiKey: UCMQYCRLDWJOII-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• NOVEL COMPOUNDS AS HIF-1ALPHAINHIBITORS AND MANUFACTURING PROCESS THEREOF
  申请人：KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY

  公开号：US20140228357A1

  公开（公告）日：2014-08-14

  The present invention relates to novel compounds as HIF-1α inhibitors, manufacturing process thereof, and a pharmaceutical compositions. The compounds according to the present invention having inhibition activity against HIF-1α, can be used as a therapeutic prevention and/or treatment for various solid cancers such as colon cancer, liver cancer, stomach cancer and breast cancer. Also, the compounds according to the present invention are useful in the treatment of diabetic retinopathy and rheumatoid arthritis, which are aggravated by HIF-1α-mediated VEGFA expression.

  本发明涉及作为HIF-1α抑制剂的新化合物，其制造工艺以及药物组合物。根据本发明的化合物具有对HIF-1α的抑制活性，可用作治疗预防和/或治疗各种实体癌症，如结肠癌、肝癌、胃癌和乳腺癌。此外，根据本发明的化合物在治疗由HIF-1α介导的VEGFA表达加重的糖尿病视网膜病变和类风湿性关节炎方面具有用处。