duartin | 52305-04-1

• 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: duartin
• 英文别名: 7,3'-Dihydroxy-8,2',4'-trimethoxyisoflavan；3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
• CAS: 52305-04-1
• 化学式: C₁₈H₂₀O₆
• 分子量: 332.353
• InChiKey: QVVPJFBYFYYVDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  邻香草醛 在 2-双环己基膦-2',6'-二甲氧基联苯 、 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 palladium 10% on activated carbon 、 氢气 、 palladium diacetate 、 potassium carbonate 、 间氯过氧苯甲酸 、 cesium fluoride 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 59.0h， 生成 duartin
  参考文献：
  名称：

  以新开发的7-苄氧基-3-氯-8-甲氧基-2H-色烯为前体合成3种8-甲氧基异黄烷

  摘要：

  我们描述了通过基于芳基 2,3-二氯烯丙基醚的克莱森重排和随后的脱氯化氢-环化的级联反应形成 3-氯-2 H-色烯。通过在级联反应产生的 3-氯-2 H-色烯和易于制备的芳基硼酸之间进行 Suzuki 交叉偶联，实现了三种不同 3-异黄烷衍生物的不同合成。通过以下多相催化加氢，我们还完成了异黄烷天然产物（±）-duartin、（±）-7-羟基-2'、3'、4'、5'、8-五甲氧基异黄烷和（ ±)-8-甲氧基肌醇。

  DOI：

  10.1016/j.tet.2022.132714

文献信息

• COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS
  申请人：The Hospital For Sick Children

  公开号：EP2598150A2

  公开（公告）日：2013-06-05
• Methods and compositions for treating metabolic disorders
  申请人：Mootha Vamsi Krishna

  公开号：US20090143279A1

  公开（公告）日：2009-06-04

  The present invention provides methods of treating of disorders characterized by defective mitochondrial activity. In particular compounds of the present invention can be used in the treatment metabolic diseases and neurodegenerative diseases. The methods are also useful to increase oxidative phosphorylation or to decrease reactive oxygen species (ROS) production in a subject in need thereof.
• SYSTEMS AND METHODS FOR IDENTIFYING COMBINATIONS OF COMPOUNDS OF THERAPEUTIC INTEREST
  申请人：Califano Andrea

  公开号：US20090269772A1

  公开（公告）日：2009-10-29

  Systems, methods, and apparatus for searching for a combination of compounds of therapeutic interest are provided. Cell-based assays are performed, each cell-based assay exposing a different sample of cells to a different compound in a plurality of compounds. From the cell-based assays, a subset of the tested compounds is selected. For each respective compound in the subset, a molecular abundance profile from cells exposed to the respective compound is measured. Targets of transcription factors and post-translational modulators of transcription factor activity are inferred from the molecular abundance profile data using information theoretic measures. This data is used to construct an interaction network. Variances in edges in the interaction network are used to determine the drug activity profile of compounds in the subset of compounds. The drug activity profiles are used to form a filter set of compound combinations from the subset of compounds.
• COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING
  申请人：Bulawa Christine

  公开号：US20100305068A1

  公开（公告）日：2010-12-02

  Disclosed are compositions and methods for modulating protein trafficking and treating or preventing disorders characterized by impaired protein trafficking. Also disclosed are methods for producing a protein and identifying compounds that rescue protein trafficking defects.
• Method of Treating Transplant Rejection and Autoimmune Diseases
  申请人：Wisconsin Alumni Research Foundation

  公开号：US20140050694A1

  公开（公告）日：2014-02-20

  A method of treating autoimmune diseases and transplant rejection, comprising the step of treating the autoimmune or transplant patient with an effective amount of SU-5416 is disclosed.