7-(2-bromoethoxy)-3-phenyl-4H-chromen-4-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: 7-(2-bromoethoxy)-3-phenyl-4H-chromen-4-one
• 英文别名: 7-(2-bromoethoxy)isoflavone；7-(2-Bromoethoxy)-3-phenylchromen-4-one
• 化学式: C₁₇H₁₃BrO₃
• 分子量: 345.192
• InChiKey: ZYZALFOYLVJNSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-(2-bromoethoxy)-3-phenyl-4H-chromen-4-one 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  CN116554137

  摘要：

  公开号：
• 作为产物：
  描述：

  2',4'-二羟基-2-苯基苯乙酮 在 三氟化硼乙醚 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 7-(2-bromoethoxy)-3-phenyl-4H-chromen-4-one
  参考文献：
  名称：

  Developing antineoplastic agents that target peroxisomal enzymes: cytisine-linked isoflavonoids as inhibitors of hydroxysteroid 17-beta-dehydrogenase-4 (HSD17B4)

  摘要：

  细胞嘧啶素连接异黄酮（CLIFs）通过靶向过氧化物酶体酶HSD17B4抑制癌细胞。

  DOI：

  10.1039/c7ob01584d

文献信息

• Synthesis of Flavonoid Derivatives of Cytisine. 3. Synthesis of 7-[2-(Cytisin-12-yl)ethoxy]isoflavones
  作者：S. P. Bondarenko、M. S. Frasinyuk、V. I. Vinogradova、V. P. Khilya

  DOI：10.1007/s10600-013-0441-3

  日期：2013.1

  The possibility of using the alkaloid cytisine to synthesize N12-cytisinylethoxy derivatives of isoflavonoids and their analogs was studied. A series of substituted 7-(N12-cytisinylethoxy)isoflavones containing chromone and cytisine fragments connected through a linker were synthesized.

  研究了利用生物碱胞嘧啶合成异黄酮 N12-胞氨乙氧基衍生物及其类似物的可能性。研究人员合成了一系列取代的 7-(N12-胞苷乙氧基)异黄酮，这些异黄酮含有通过连接体连接的铬酮和胞苷片段。
• 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。
• Novel Basic Isoflavones as Inhibitors of Bone Resorption
  作者：Maurizio Delcanale、Gabriele Amari、Elisabetta Armani、Milco Lipreri、Maurizio Civelli、Elisabetta Galbiati、Massimo Giossi、Paola Lorenza Caruso、Patrizia Crivori、Pierre-Alain Carrupt、Bernard Testa

  DOI：10.1002/1522-2675(20010815)84:8<2417::aid-hlca2417>3.0.co;2-n

  日期：2001.8.15

  A number of aminoalkoxy analogues of ipriflavone (=7-(1-methylethoxy)isoflavone) were prepared and examined for their capacity to inhibit bone resorption induced by bovine parathyroid hormone fragment 1 - 34. Good-to-high activities were found for 7-(aminoalkoxy)isoflavone. analogues. Their activity was influenced by a number of structural features, among which the length of the basic side chain, the basicity of the amino group, and the nature and position of substituents on the 3-phenyl ring. 4'-(Aminoalkoxy)ipriflavone derivatives were less active.
• [EN] DIAMINOBUTOXY-SUBSTITUTED ISOFLAVONOIDS AS MITOCHONDRIAL COMPLEX I INHIBITORS FOR CANCER TREATMENT<br/>[FR] ISOFLAVONOÏDES SUBSTITUÉS PAR DIAMINOBUTOXY EN TANT QU'INHIBITEURS DE COMPLEXE MITOCHONDRIAL I POUR TRAITEMENT DU CANCER
  申请人：[en]UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION

  公开号：WO2023107507A1

  公开（公告）日：2023-06-15

  The presently-disclosed subject matter relates to diaminobutoxy-substituted isoflavonoids and their use thereof as mitochondrial complex I inhibitors for the treatment of cancer.