3,5,7,3',4'-五羟基黄烷酮 | 215257-15-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 中文名称: 3,5,7,3',4'-五羟基黄烷酮
• 英文名称: 3,3',4',5,7-pentahydroxy flavanone
• 英文别名: dihydroquercetin；taxifolin；DHQ；2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
• CAS: 215257-15-1
• 化学式: C₁₅H₁₂O₇
• mdl: MFCD00006845
• 分子量: 304.256
• InChiKey: CXQWRCVTCMQVQX-UHFFFAOYSA-N

物化性质

• 熔点：
  238～240℃
• 沸点：
  687.6±55.0 °C(Predicted)
• 密度：
  1.702±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  127
• 氢给体数：
  5
• 氢受体数：
  7

ADMET

代谢

二氢槲皮素是槲皮素已知的人体代谢物。

Dihydroquercetin is a known human metabolite of Quercetin.

来源:NORMAN Suspect List Exchange

反应信息

• 作为反应物：
  描述：

  3,5,7,3',4'-五羟基黄烷酮 在 FLAVONOL SYNTHASE 作用下， 生成 槲皮素
  参考文献：
  名称：

  [EN] KAEMPFEROL AGLYCONE-CONTAINING EXTRACT
  [FR] EXTRAIT CONTENANT DE L'AGLYCONE DE KAEMPFÉROL
  [JA] ケンペロールアグリコン含有抽出物

  摘要：

  提供有助于享受肯佩洛尔的生理作用的手段。这是指干重量换算下，含有1毫克/克以上肯佩洛尔类化合物的植物提取物。

  公开号：

  WO2022045091A1
• 作为产物：
  描述：

  槲皮素 在 palladium 10% on activated carbon 、 氢气 作用下， 以64%的产率得到3,5,7,3',4'-五羟基黄烷酮
  参考文献：
  名称：

  Synthesis, structure–activity relationship analysis and kinetics study of reductive derivatives of flavonoids as Helicobacter pylori urease inhibitors

  摘要：

  In a continuing study for discovering urease inhibitors based on flavonoids, nineteen reductive derivatives of flavonoids were synthesized and evaluated against Helicobacter pylori urease. Analysis of structure-activity relationship disclosed that 4-deoxy analogues are more potent than other reductive products. Out of them, 4',7,8-trihydroxyl-2-isoflavene (13) was found to be the most active with IC50 of 0.85 mu M, being over 20-fold more potent than the commercial available urease inhibitor, acetohydroxamic acid (AHA). Kinetics study revealed that 13 is a competitive inhibitor of H. pylori urease with a K-i value of 0.641 mu M, which is well matched with the results of molecular docking. Biological evaluation and mechanism study of 13 suggest that it is a good candidate for discovering novel anti-gastritis and anti-gastric ulcer agent. (c) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.03.016

文献信息

• Flavonoid derivative
  申请人：Buchholz Herwig

  公开号：US20070134172A1

  公开（公告）日：2007-06-14

  The invention relates to a novel flavonoid derivative, to an extract comprising the flavonoid derivative, to the cosmetic and pharmaceutical use thereof, to preparations comprising the flavonoid derivative or extract, and to a process for the preparation of the flavonoid derivative or extract.

  这项发明涉及一种新型黄酮衍生物，一种包含该黄酮衍生物的提取物，以及其在化妆品和药用方面的使用，包括含有该黄酮衍生物或提取物的制剂，以及一种制备该黄酮衍生物或提取物的方法。
• NMR study of inclusion complexes formation between amphiphilic dimeric β-cyclodextrin derivative and some pharmacologically important compounds
  作者：Mikhail K. Grachev、Margarita A. Malenkovskaya、Larisa K. Vasyanina

  DOI：10.1007/s10847-015-0548-1

  日期：2015.12

  6-hexanediamine the new dimeric (bridged) amphiphilic derivative was obtained, and the opportunity to form on its base inclusion complexes of “guest–host” type with some pharmacologically important compounds was demonstrated by 1H and 13C NMR spectroscopy.

  通过使用单糖基 β-环糊精衍生物和 1,6-己二胺，获得了新的二聚（桥连）两亲衍生物，并证明了在其基础上与​​一些药理学上重要的化合物形成“客体-宿主”型包合物的机会通过 1H 和 13C NMR 光谱。
• Extracts of Isochrysis sp.
  申请人：Herrmann Martina

  公开号：US20100080761A1

  公开（公告）日：2010-04-01

  The present invention relates to extracts of Isochrysis sp., preferably Tahitian Isochrysis, its cosmetic, dermatological and/or therapeutic uses and compositions and cosmetic, dermatological or therapeutic products comprising such an extract of Isochrysis sp., preferably Tahitian Isochrysis.

  本发明涉及Isochrysissp.的提取物，优选为塔希提Isochrysis，及其在化妆品、皮肤病学和/或治疗学上的用途以及包含该Isochrysissp.提取物的化妆品、皮肤病学或治疗学产品，优选为塔希提Isochrysis。
• Reactions of Electrophilic and Nucleophilic Substitution in Flavonoid Series Involving Amino Acids and Their Derivatives
  作者：S. E. Mosyurov、T. S. Kukhareva、M. P. Koroteev、A. O. Pozdeev、A. M. Koroteev、E. E. Nifant’ev

  DOI：10.1134/s0012500818060034

  日期：2018.6

  Reactions of catechin and dihydroquercetin flavonoids with amino acids containing primary amino groups have been conducted. Amino acids can be used in both electrophilic substitution (Mannich aminomethylation) and electrophilic substitution (acylation) reactions.

  儿茶素和二氢槲皮素黄酮类化合物与含有伯氨基的氨基酸的反应已经进行。氨基酸可用于亲电取代（曼尼希氨甲基化）和亲电取代（酰化）反应。
• [EN] ANTI-CD70 ANTIBODY DRUG CONJUGATES<br/>[FR] CONJUGUÉS DE MÉDICAMENT ANTICORPS ANTI-CD70
  申请人：AMBRX INC

  公开号：WO2013192360A1

  公开（公告）日：2013-12-27

  This invention relates to anti-CD70 antibodies and antibody drug conjugates comprising at least one non-naturally-encoded amino acid. Disclosed herein are αCD70 antibodies with one or more non-naturally encoded amino acids and further disclosed are antibody drug conjugates wherein the αCD70 antibodies of the invention are conjugated to one or more toxins. Further disclosed are methods for using such non-natural amino acid antibody drug conjugates, including therapeutic, diagnostic, and other biotechnology uses.

  本发明涉及抗CD70抗体以及包含至少一个非天然编码氨基酸的抗体药物偶联物。在此公开了具有一个或多个非天然编码氨基酸的αCD70抗体，并且进一步公开了抗体药物偶联物，其中本发明的αCD70抗体与一个或多个毒素偶联。进一步还公开了使用此类非天然氨基酸抗体药物偶联物的方法，包括治疗、诊断和其他生物技术应用。