acetic acid 7-acetoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-5-yl ester | 54443-59-3

• 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: acetic acid 7-acetoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-5-yl ester
• 英文别名: 7-acetyloxy-3-(4-methoxyphenyl)-4-oxochromen-5-yl acetate；biochanin A diacetate；5,7-diacetoxy-3-(4-methoxy-phenyl)-chromen-4-one；5,7-Diacetoxy-3-(4-methoxy-phenyl)-chromen-4-on；3-(4-methoxyphenyl)-4-oxo-4H-chromene-5,7-diyl diacetate；4'-Methoxy-5,7-diacetoxy-isoflavon；[5-acetyloxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
• CAS: 54443-59-3
• 化学式: C₂₀H₁₆O₇
• 分子量: 368.343
• InChiKey: VXOBVHAUXZVHTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  acetic acid 7-acetoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-5-yl ester 在 乙醇 、 sodium carbonate 作用下， 生成 鹰嘴豆芽素A
  参考文献：
  名称：

  Baker et al., Journal of the Chemical Society, 1953, p. 1852,1856

  摘要：

  DOI：
• 作为产物：
  描述：

  鹰嘴豆芽素A 、 乙酸酐 在 吡啶 作用下， 生成 acetic acid 7-acetoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-5-yl ester
  参考文献：
  名称：

  Pope; Wright, Chemistry and industry, 1954, p. 1019

  摘要：

  DOI：

文献信息

• Compounds for Enhancing Arginase Activity and Methods of USe Thereof
  申请人：Ratan Rajiv R.

  公开号：US20090253782A1

  公开（公告）日：2009-10-08

  The present invention relates to a method for enhancing arginase activity in a damaged or injured cell. In other aspects, the invention provides a method for treating a disorder that can be treated by enhancing arginase activity in a human in need thereof, the method comprising administering to the human an effective amount of a compound that enhances arginase activity. Such disorders include ischemia, hypoxia, neurodegenerative disease or condition, stroke or trauma of the nervous system. In yet another aspect, the invention provides methods for promoting regeneration of a neural cell in a human in need thereof.

  本发明涉及一种增强受损或受伤细胞中精氨酸酶活性的方法。在其他方面，本发明提供了一种治疗可以通过增强人体中精氨酸酶活性来治疗的疾病的方法，该方法包括向患者施用增强精氨酸酶活性的化合物的有效量。这些疾病包括缺血、低氧、神经退行性疾病或情况、中风或神经系统创伤。在另一个方面，本发明提供了促进人体中需要的神经细胞再生的方法。
• Synthesis and Characterization of 3-Arylquinazolinone and 3-Arylquinazolinethione Derivatives as Selective Estrogen Receptor Beta Modulators
  作者：Timur Güngör、Ying Chen、Rajasree Golla、Zhengping Ma、James R. Corte、John P. Northrop、Bin、John K. Dickson、Terry Stouch、Rong Zhou、Susan E. Johnson、Ramakrishna Seethala、Jean H. M. Feyen

  DOI：10.1021/jm0509389

  日期：2006.4.1

  On the basis of the stucture of genistein, a new series of 3-arylquinazolines was prepared and tested for their estrogen receptor (ER) alpha and beta affinities. 5,7-Dihydroxy-3 -(4-hydroxyphenyl)-4(3H)-quinazolinone (1aa) acts as an agonist on both ER subtypes. It has 62-fold higher binding affinity [IC50(ER beta) = 179 nM] and 38-fold higher functional potency in a transcription assay [EC50(ER beta) = 76 nM] with ER beta than with ER alpha, thus improving upon the selectivity of genistein. All of the analogues showed preferential binding affinity for ER. Many are also more potent in activating transcription by ER beta than by ER alpha. Transformation of the C=O functionality at position 4 into a C=S group provided 5,7-dihydroxy-3-(4-hydroxyphenyl)4(3H)-quinazolinethione (1ba), which acts as an agonist on both ER subtypes but has 56-fold higher binding affinity for ER beta over ER alpha [IC50(ER beta) = 47 nM] and 215-fold higher potency in the transcription assay [EC50(ER beta) = 13 nM]. These ER beta-selective compounds may represent valuable tools in understanding the differences in structure and biological function of ER beta and ER alpha.
• King et al., Journal of the Chemical Society, 1952, p. 4580,4582
  作者：King et al.

  DOI：——

  日期：——
• Bose; Siddiqui, Journal Of Scientific and Industrial Research, 1945, vol. 4, p. 231,234
  作者：Bose、Siddiqui

  DOI：——

  日期：——