4-oxo-2-phenyl-4H-chromene-7,8-diyl diacetate | 109688-08-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 4-oxo-2-phenyl-4H-chromene-7,8-diyl diacetate
• 英文别名: 7,8-diacetoxyflavone；7,8-diacetoxy-2-phenyl-chromen-4-one；7,8-Diacetoxy-2-phenyl-chromen-4-on；7,8-diacetoxy-2-phenyl-4H-chromen-4-one；Diacet des 7.8-Dihydroxy-flavons；7,8-Diacetoxy-flavone；(8-acetyloxy-4-oxo-2-phenylchromen-7-yl) acetate
• CAS: 109688-08-6
• 化学式: C₁₉H₁₄O₆
• 分子量: 338.317
• InChiKey: QTHDZFUNNZUNEV-UHFFFAOYSA-N

物化性质

• 熔点：
  201 °C
• 沸点：
  523.9±50.0 °C(Predicted)
• 密度：
  1.329±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-oxo-2-phenyl-4H-chromene-7,8-diyl diacetate 在 Pseudomonas sp. lipase 正丁醇 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以95%的产率得到8-acetoxy-7-hydroxyflavone
  参考文献：
  名称：

  黄酮乙酸酯在有机溶剂中的酶催化醇解

  摘要：

  假单胞菌属。悬浮在四氢呋喃中的脂肪酶用于使乙酸黄酮去酰化。已经观察到反应的区域选择性。

  DOI：

  10.1016/s0040-4039(00)88570-6
• 作为产物：
  描述：

  7-羟基黄酮 在 dipotassium peroxodisulfate 、 alkaline solution 、 sodium acetate 作用下， 生成 4-oxo-2-phenyl-4H-chromene-7,8-diyl diacetate
  参考文献：
  名称：

  Narasimhachari et al., Proceedings - Indian Academy of Sciences, Section A, 1948, # 27, p. 37,42

  摘要：

  DOI：

文献信息

• Substituted benzopyranones as telomerase inhibitors
  申请人：——

  公开号：US20020160983A1

  公开（公告）日：2002-10-31

  The present invention relates to benzopyranone derivatives, to methods for treating telomerase-modulated diseases, in particular cancers, with said derivatives, to a process for their preparation, to their use as medicaments and to pharmaceutical compositions comprising them.

  本发明涉及苯并吡喃酮衍生物，涉及使用所述衍生物治疗端粒酶调节疾病的方法，特别是癌症，涉及它们的制备过程，它们作为药物的使用，以及包含它们的药物组合物。
• [EN] Substituted Dihydroxyflavone Derivatives, Compositions, and Methods Related Thereto<br/>[FR] DÉRIVÉS DE DIHYDROXYFLAVONE SUBSTITUÉS, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：UNIV EMORY

  公开号：WO2020033960A1

  公开（公告）日：2020-02-13

  In certain embodiments, the disclosure relates to heterocyclic flavone derivatives, such as those described by formula provided herein, pharmaceutical compositions, and methods related thereto. In certain embodiments, the disclosure relates to methods of treating or preventing diseases or conditions related to BDNF and TrkB activity, such as depression, stroke, Rett syndrome, Parkinson's disease, and Alzheimer's disease by administering effective amounts of pharmaceutical compositions comprising compounds disclosed herein to a subject in need thereof.

  在某些实施例中，该公开涉及杂环黄酮衍生物，例如本文提供的公式所描述的那些，制药组合物，以及相关方法。在某些实施例中，该公开涉及治疗或预防与BDNF和TrkB活性相关的疾病或症状的方法，如抑郁症、中风、雷特综合征、帕金森病和阿尔茨海默病，通过向需要的受试者投与本文披露的化合物组成的制药组合物的有效量。
• [EN] 7,8-DIHYDOXYFLAVONE AND 7,8-SUBSTITUTED FLAVONE DERIVATIVES, COMPOSITIONS, AND METHODS RELATED THERETO<br/>[FR] 7,8-DIHYDROXYFLAVONE ET DÉRIVÉS DE FLAVONE 7,8-SUBSTITUÉE, COMPOSITIONS ET MÉTHODES ASSOCIÉES
  申请人：UNIV EMORY

  公开号：WO2014071134A1

  公开（公告）日：2014-05-08

  In certain embodiments, the disclosure relates to 7,8-dihydoxyflavone and 7,8-substituted flavone derivatives, such as those described by formula provided herein, pharmaceutical compositions, and methods related thereto. In certain embodiments, the disclosure relates to methods of treating or preventing diseases or conditions related to BDNF and TrkB activity, such as psychiatric disorders, depression, post-traumatic stress disorder, and autism spectrum disorders, stroke, Rett syndrome, Parkinson's disease, and Alzheimer's disease by administering effective amounts of pharmaceutical compositions comprising compounds disclosed herein to a subject in need thereof. In certain embodiments, it is contemplated that the 7,8-substituted flavone derivatives disclosed herein are prodrugs of 7,8-dihydoxyflavone and analogs.

  在某些实施例中，本公开涉及7,8-二羟基黄酮和7,8-取代黄酮衍生物，例如本文提供的公式所描述的那些，以及与之相关的药物组合物和方法。在某些实施例中，本公开涉及治疗或预防与BDNF和TrkB活性相关的疾病或症状的方法，例如精神疾病、抑郁症、创伤后应激障碍和自闭症谱系障碍、中风、莱特综合征、帕金森病和阿尔茨海默病，通过向需要的受试者施用包含本文披露的化合物的药物组合物的有效量。在某些实施例中，考虑到本文披露的7,8-取代黄酮衍生物是7,8-二羟基黄酮和类似物的前药。
• TREATING VARIOUS DISORDERS WITH 7,8-DIHYDROXYFLAVONE AND DERIVATIVES THEREOF
  申请人：Ye Keqiang

  公开号：US20110144196A1

  公开（公告）日：2011-06-16

  Novel compounds and methods related to the activation of the TrkB receptor are provided. The methods include administering in vivo or in vitro a therapeutically effective amount of 7,8-dihydroxyflavone or derivative thereof. Specifically, methods and compounds for the treatment of disorders including neurologic disorders, neuropsychiatric disorders, and metabolic disorders (e.g., obesity) are provided. For example, a first method is provided of treating or reducing the risk of depression, anxiety, or obesity in a subject, which includes selecting a subject with or at risk of developing depression, anxiety, or obesity, and administering to the subject a therapeutically effective amount of 7,8-dihydroxyflavone or a derivative thereof. A further method of promoting neuroprotection in a subject also is provided, which includes selecting a subject in need of neuroprotection, and administering to the subject a therapeutically effective amount of 7,8-dihydroxyflavone or a derivative thereof.

  本发明提供了与TrkB受体激活相关的新化合物和方法。该方法包括在体内或体外给予7,8-二羟基黄酮或其衍生物的治疗有效量。具体提供了用于治疗神经疾病、神经精神疾病和代谢性疾病（例如肥胖症）的方法和化合物。例如，提供了一种用于治疗或减少患者患抑郁症、焦虑症或肥胖症风险的第一种方法，其中包括选择患有或有发展抑郁症、焦虑症或肥胖症风险的患者，并向该患者给予7,8-二羟基黄酮或其衍生物的治疗有效量。还提供了一种促进患者神经保护的进一步方法，包括选择需要神经保护的患者，并向该患者给予7,8-二羟基黄酮或其衍生物的治疗有效量。
• Woker; v. Kostanecki; Tambor, Chemische Berichte, 1903, vol. 36, p. 4235
  作者：Woker、v. Kostanecki、Tambor

  DOI：——

  日期：——