[4-[4-oxo-3,5,7-tri(propanoyloxy)chromen-2-yl]-2-propanoyloxyphenyl] propanoate | 52739-60-3

• 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-[4-oxo-3,5,7-tri(propanoyloxy)chromen-2-yl]-2-propanoyloxyphenyl] propanoate
• CAS: 52739-60-3
• 化学式: C₃₀H₃₀O₁₂
• 分子量: 582.561
• InChiKey: YZXFUSMMBOJUDC-UHFFFAOYSA-N

物化性质

• 沸点：
  703.6±60.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  42
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  158
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  丙酸酐 、 芦丁 在 硫酸 作用下， 反应 6.0h， 以57.3%的产率得到[4-[4-oxo-3,5,7-tri(propanoyloxy)chromen-2-yl]-2-propanoyloxyphenyl] propanoate
  参考文献：
  名称：

  一锅煮法由芦丁合成槲皮素酯的方法及其产物和应用

  摘要：

  本发明属于化合物合成技术领域，特别涉及一锅煮法由芦丁合成槲皮素酯的方法及其产物和应用。将芦丁与酸酐或酰氯反应，在酸或碱的作用下，一锅煮直接制备槲皮素酯。本发明提供了多个新的槲皮素酯化合物，并通过一锅法进行合成。所述方法试剂易得，条件温和，操作步骤少，省工省时，节省原料，减少排放污染少，产率高，为槲皮素衍生物的有效利用奠定了基础，具有推广价值。

  公开号：

  CN109678832A

文献信息

• Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US10953027B2

  公开（公告）日：2021-03-23

  Disclosed herein are active agents, compositions containing them, unit dosage forms containing them, and methods of their use, e.g., for treating a metabolic disorder or nonalcoholic fatty liver disease or for modulating a metabolic marker or nonalcoholic fatty liver disease marker.

  本文公开了活性剂、含有活性剂的组合物、含有活性剂的单位剂型以及活性剂的使用方法，例如用于治疗代谢紊乱或非酒精性脂肪肝或调节代谢标志物或非酒精性脂肪肝标志物。
• Acylated active agents and methods of their use for the treatment of autoimmune disorders
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US11058698B2

  公开（公告）日：2021-07-13

  Disclosed herein are acylated active agents and methods of their use, e.g., for modulating an autoimmunity marker or for treating an autoimmune disorder.

  本文公开了酰化活性剂及其使用方法，例如用于调节自身免疫标记物或治疗自身免疫性疾病的方法。
• Pentasubstituted quercetin analogs as selective inhibitors of particulate 3',5'-cyclic-AMP phosphodiesterase from rat brain
  作者：Madeleine Picq、Annie F. Prigent、Georges Nemoz、Annie C. Andre、Henri Pacheco

  DOI：10.1021/jm00352a019

  日期：1982.10

  Some penta-O-substituted analogues of quercetin were synthesized and tested for the inhibition of cytosolic and particulate rat brain cyclic AMP and cyclic GMP phosphodiesterase activities. Ten of these compounds are potent and highly selective inhibitors of cAMP hydrolysis with respect to cGMP hydrolysis. They inhibit more potently the particulate enzyme than the cytosolic preparation. The highest selectivity was observed with penta-O-ethylquercetin and analogue 6d, which proved to be more selective and more potent inhibitors than the reference compound Ro 20-1724. Some structure-activity relationships are discussed.
• Synthesis, characterization, anti-inflammatory and anti-proliferative activity against MCF-7 cells of O-alkyl and O-acyl flavonoid derivatives
  作者：T. Kim-Dung Hoang、T. Kim-Chi Huynh、Thanh-Danh Nguyen

  DOI：10.1016/j.bioorg.2015.09.005

  日期：2015.12

  A series of O-alkyl and O-acyl flavonoid derivatives was synthesized in high efficiency. Alkylation and acylation of 5-hydroxyflavonoids showed that the low reactivity hydroxyl group, 5-OH, well reacted with strong reagents whereas with weaker reagents, the different products were obtained dependently on structural characteristic of ring C of respective flavonoid. In order to evaluate anti-inflammatory activity, all compounds were tested for in vitro inhibition of bovine serum albumin denaturation and in vivo inhibition of carrageenan-induced mouse paw edema. Among them, the compounds 3, 3b, 4b and 4c demonstrated more effective anti-inflammatory activity than standard drugs (diclofenac sodium and ketoprofen) in both tests. Meanwhile, the flavonoids 2, 2c, 3a and 4b displayed anti-proliferative activity against MCF-7 cell lines. Triacetyl derivative of hesperetin 4b inducing degradation of DNA in MCF-7 cells was observed. (C) 2015 Elsevier Inc. All rights reserved.
• WO2019236775A5
  申请人：——

  公开号：WO2019236775A5

  公开（公告）日：2022-06-13