(1S,9S)-11-[2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxyethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

• 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: (1S,9S)-11-[2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxyethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• 化学式: C₂₈H₂₅ClN₂O₄
• 分子量: 489.0
• InChiKey: AWYIGLQVLDWNAP-ICSRJNTNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• CYTISINE-LINKED ISOFLAVONOID ANTINEOPLASTIC AGENTS FOR THE TREATMENT OF CANCER
  申请人：UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION

  公开号：US20180344862A1

  公开（公告）日：2018-12-06

  Cytisine-linked isoflavonoids, or pharmaceutically acceptable salts thereof or pharmaceutically acceptable compositions thereof, are useful for the treatment of conditions in which cells have a reliance on peroxisomal HSD17B4 to degrade very long chain fatty acids and provide necessary energy for cell proliferation, such as is seen in colorectal cancer and prostate cancer, for example.

  细胞色素素链与异黄酮相连，或其药用盐或其药用组合物，在治疗细胞依赖过氧化物酶体HSD17B4降解非常长链脂肪酸并为细胞增殖提供必要能量的情况下具有用处，例如在结肠癌和前列腺癌中观察到。
• Cytisine-linked isoflavonoid antineoplastic agents for the treatment of cancer
  申请人：UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION

  公开号：US10188743B2

  公开（公告）日：2019-01-29

  Cytisine-linked isoflavonoids, or pharmaceutically acceptable salts thereof or pharmaceutically acceptable compositions thereof, are useful for the treatment of conditions in which cells have a reliance on peroxisomal HSD17B4 to degrade very long chain fatty acids and provide necessary energy for cell proliferation, such as is seen in colorectal cancer and prostate cancer, for example.

  胞嘧啶类异黄酮或其药学上可接受的盐或其药学上可接受的组合物可用于治疗细胞依赖过氧物酶体 HSD17B4 降解长链脂肪酸并为细胞增殖提供必要能量的病症，例如结直肠癌和前列腺癌。