chlorogenic acid | 1049703-62-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: chlorogenic acid
• 英文别名: trans-3-caffeoylquinic acid；3-O-caffeoylquinic acid；trans-Neochlorogenin-saeure；trans-Chlorogenin-saeure；Chlorogensaeure；Isochlorogenic acid；3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
• CAS: 1049703-62-9
• 化学式: C₁₆H₁₈O₉
• mdl: MFCD00066679
• 分子量: 354.314
• InChiKey: CWVRJTMFETXNAD-DUXPYHPUSA-N

物化性质

• 沸点：
  665.0±55.0 °C(Predicted)
• 密度：
  1.65±0.1 g/cm3(Predicted)
• 物理描述：
  Solid
• 熔点：
  177-179°C

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  165
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  chlorogenic acid 反应 0.5h， 生成 TRANS-咖啡酸 、 奎尼酸 、 Isochlorogenic acid A
  参考文献：
  名称：

  Kojima, Mineo; Kondo, Tadao, Agricultural and Biological Chemistry, 1985, vol. 49, # 8, p. 2467 - 2470

  摘要：

  DOI：

文献信息

• Water Soluble and Activable Phenolics Derivatives with Dermocosmetic and Therapeutic Applications and Process for Preparing Said Derivatives
  申请人：Auriol Daniel

  公开号：US20090233876A1

  公开（公告）日：2009-09-17

  The invention relates to the preparation of phenolics derivatives by enzymatic condensation of phenolics selected among pyrocatechol or its derivatives with the glucose moiety of sucrose. The production of said phenolics derivatives is achieved with a glucosyltransferase (EC 2.4.1.5). These O-α-glucosides of selected phenolics are new, have a solubility in water higher than that of their parent polyphenol and have useful applications in cosmetic and pharmaceutical compositions, such as antioxidative, antiviral, antibacterial, immune-stimulating, antiallergic, antihypertensive, antiischemic, antiarrhythmic, antithrombotic, hypocholesterolemic, antilipoperoxidant, hepatoprotective, anti-inflammatory, anticarcinogenic antimutagenic, antineoplastic, anti-thrombotic, and vasodilatory formulations, or in any other field of application.

  该发明涉及通过酶催化将选择自间苯二酚或其衍生物的酚类与蔗糖的葡萄糖部分进行缩合来制备酚类衍生物。所述酚类衍生物的生产是通过葡萄糖转移酶（EC 2.4.1.5）实现的。所选酚类的这些O-α-葡糖苷是新的，其在水中的溶解度高于它们的原始多酚，并且在化妆品和药用组合物中具有有用的应用，如抗氧化、抗病毒、抗菌、免疫刺激、抗过敏、降压、抗缺血、抗心律失常、抗血栓形成、降胆固醇、抗脂质过氧化、肝脏保护、抗炎症、抗癌变突变、抗肿瘤、抗血栓形成和扩血管等配方，或者在任何其他应用领域中。
• [EN] POLYPHENOL ANALOGS TO TREAT ISCHEMIA<br/>[FR] ANALOGUES DE POLYPHÉNOL POUR TRAITER UNE ISCHÉMIE
  申请人：LAPCHAK PAUL A

  公开号：WO2013025484A1

  公开（公告）日：2013-02-21

  The present invention provides methods of use of polyphenol compounds for treating, preventing, mitigating and delaying ischemia or a condition where ischemia occurs. In one embodiment, the method comprises providing a polyphenol analog; and administering the polyphenol analog to a subject to treat ischemia or a condition where ischemia occurs. Various embodiments of the present invention are useful for the treatment of patients having, or at risk for, any of (1) ischemic stroke, (2) hemorrhagic stroke, (3) cardiovascular disease, (4) ischemia related spinal cord injury, (5) ischemia in diabetic patients, or (6) embolic stroke.. For example, use of the polyphenol compounds can maintain glutathione levels in the patient.

  本发明提供了使用多酚化合物治疗、预防、缓解和延迟缺血或发生缺血状况的方法。在一个实施方式中，该方法包括提供一种多酚类似物；并将该多酚类似物给予受试者以治疗缺血或发生缺血状况。本发明的各种实施方式适用于治疗患有或有风险患有以下任何一种疾病的患者：（1）缺血性中风，（2）出血性中风，（3）心血管疾病，（4）与缺血有关的脊髓损伤，（5）糖尿病患者的缺血，或（6）栓塞性中风。例如，使用多酚化合物可以维持患者的谷胱甘肽水平。
• [EN] NEUROPROTECTIVE POLYPHENOL ANALOGS<br/>[FR] ANALOGUES DU POLYPHÉNOL NEUROPROTECTEURS
  申请人：SCHUBERT DAVID R

  公开号：WO2013025498A1

  公开（公告）日：2013-02-21

  The present invention provides neuroprotective polyphenol compounds, which can be synthetic analogs of fisetin, baicalein or chlorogenic acid, that maintain neuroprotective, anti-inflammatory, glutathione promoting, and/or antioxidant properties. The neuroprotective polyphenol compounds are useful for promoting, enhancing and/or increasing neuron protection, growth and/or regeneration. The polyphenol compounds further find use for increasing and or maintaining intracellular glutathione (GSH) levels. The polyphenol compounds are also useful for treating, preventing, mitigating and/or delaying neurodegenerative conditions, including diabetes, Parkinson's disease, Huntington's disease, Alzheimer's disease, non-Alzherimer's dementias, multiple sclerosis, traumatic brain injury, spinal cord injury or ALS.

  本发明提供了神经保护多酚化合物，可以是嘌呤、黄芩素或绿原酸的合成类似物，这些化合物具有保持神经保护、抗炎、促进谷胱甘肽以及抗氧化性能。这些神经保护多酚化合物可用于促进、增强和/或增加神经元的保护、生长和/或再生。多酚化合物还可用于增加和/或维持细胞内谷胱甘肽（GSH）水平。多酚化合物还可用于治疗、预防、缓解和/或延缓神经退行性疾病，包括糖尿病、帕金森病、亨廷顿病、阿尔茨海默病、非阿尔茨海默病性痴呆、多发性硬化症、创伤性脑损伤、脊髓损伤或肌萎缩侧索硬化症（ALS）。
• DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS
  申请人：QuantuMDx Group Limited

  公开号：US20160139133A1

  公开（公告）日：2016-05-19

  Embodiments of the present disclosure relate generally to reporter compositions which are synthetic nucleotides that comprise nucleotides with a high charge mass moiety attached thereto via a linker molecule. The linker molecules can vary in length in part to enable the high charge mass moiety to extend out from a DNA polymerase complex so that polymerization may not be influenced.

  本公开的实施例通常涉及记者组成物，其为合成核苷酸，包括通过连接分子连接到其上的具有高电荷质量部分的核苷酸。连接分子的长度可以不同，部分是为了使高电荷质量部分从DNA聚合酶复合物中延伸出来，以便不影响聚合作用。
• Design, synthesis and use of synthetic nucleotides comprising charge mass tags
  申请人：QuantuMDx Group Limited

  公开号：US10273261B2

  公开（公告）日：2019-04-30

  Embodiments of the present disclosure relate generally to reporter compositions which are synthetic nucleotides that comprise nucleotides with a high charge mass moiety attached thereto via a linker molecule. The linker molecules can vary in length in part to enable the high charge mass moiety to extend out from a DNA polymerase complex so that polymerization may not be influenced.

  本公开的实施方案一般与报告基因组合物有关，报告基因组合物是合成核苷酸，包括通过连接分子连接高电荷质量分子的核苷酸。连接分子的长度可以不同，部分原因是使高电荷质量分子能够从 DNA 聚合酶复合物中延伸出来，从而使聚合作用不受影响。