1,4-di-O-caffeoylquinic acid | 251320-68-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,4-di-O-caffeoylquinic acid
• 英文别名: 1,4-dicaffeoylquinic acid；NSC-91529；Cynarin
• CAS: 251320-68-0
• 化学式: C₂₅H₂₄O₁₂
• 分子量: 516.458
• InChiKey: IYXQRCXQQWUFQV-PSEXTPKNSA-N

物化性质

• 沸点：
  843.4±65.0 °C(Predicted)
• 密度：
  1?+-.0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.03
• 重原子数：
  37.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  211.28
• 氢给体数：
  7.0
• 氢受体数：
  11.0

文献信息

• SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY
  申请人：H. Lee Moffitt Cancer Center And Research Institute, Inc.

  公开号：US20140329900A1

  公开（公告）日：2014-11-06

  The present invention concerns compounds, compositions containing these compounds, and methods of using these compounds and compositions as inhibitors of Stat3 signaling, Stat3 dimerization, Stat3-DNA binding, Stat5-DNA binding, and/or aberrant cell growth in vitro or in vivo, e.g., as anti-cancer agents for treatment of cancer, such as breast cancer. The compounds of the invention include, but are not limited to, NSC 74859 (S31-201), NSC 42067, NSC 59263, NSC 75912, NSC 11421, NSC 91529, NSC 263435, and pharmaceutically acceptable salts and analogs of the foregoing. Other non-malignant diseases characterized by proliferation of cells that may be treated using the compounds of the invention, but are not limited to, cirrhosis of the liver; graft rejection; restenosis; and disorders characterized by a proliferation of T cells such as autoimmune diseases, e.g., type 1 diabetes, lupus and multiple sclerosis. The invention further includes an in-vitro screening test for the presence of malignant cells in a mammalian tissue; a method of identifying inhibitors of constitutive Stat3 activation, Stat3-DNA binding, Stat5-DNA binding, and/or Stat3 dimerization; and a method of identifying anti-cancer agents.

  本发明涉及化合物、含有这些化合物的组合物以及使用这些化合物和组合物作为Stat3信号通路、Stat3二聚化、Stat3-DNA结合、Stat5-DNA结合和/或体外或体内异常细胞生长的抑制剂的方法，例如作为治疗癌症，如乳腺癌的抗癌剂。本发明的化合物包括但不限于NSC 74859（S31-201）、NSC 42067、NSC 59263、NSC 75912、NSC 11421、NSC 91529、NSC 263435以及其药学上可接受的盐和类似物。其他非恶性疾病，其特征为细胞增殖，可以使用本发明的化合物进行治疗，但不限于肝硬化、移植排斥反应、再狭窄以及T细胞增殖的疾病，例如自身免疫性疾病，如1型糖尿病、狼疮和多发性硬化等。本发明还包括一种用于检测哺乳动物组织中恶性细胞存在的体外筛选测试；一种识别组成性Stat3激活、Stat3-DNA结合、Stat5-DNA结合和/或Stat3二聚化抑制剂的方法；以及一种识别抗癌剂的方法。
• Methods for making botanical extract composition
  申请人：CARGILL, INCORPORATED

  公开号：US11344596B2

  公开（公告）日：2022-05-31

  A method for making a caffeoylquinic composition from a botanical source is disclosed. The method may include chromatographing an extract of biomass on an ion exchange stationary phase and obtaining an eluent comprising a caffeoylquinic composition. The biomass may be Stevia or yerba mate, for example. The caffeoylquinic composition includes one or more of monocaffeoylquinic acid, dicaffeoylquinic acid, and salts of the foregoing.

  本发明公开了一种利用植物源制造咖啡酰奎宁酸组合物的方法。该方法可包括在离子交换固定相上对生物质提取物进行色谱分析，并获得包含咖啡酰奎宁酸组合物的洗脱液。生物质可以是甜叶菊或耶巴马黛茶等。咖啡酰奎宁酸组合物包括单咖啡酰奎宁酸、二咖啡酰奎宁酸和上述物质的盐中的一种或多种。
• STEVIOL GLYCOSIDE COMPOSITIONS WITH REDUCED SURFACE TENSION
  申请人：CARGILL, INCORPORATED

  公开号：US20190223482A1

  公开（公告）日：2019-07-25

  A steviol glycoside composition with reduced surface tension. The reduced surface tension steviol glycoside composition includes an aqueous solution of a steviol glycoside and a surface tension reducing compound in an amount effective to reduce surface tension. Method for reducing surface tension in a steviol glycoside solution includes contacting a steviol glycoside and a surface tension reducing compound.
• SENSORY MODIFIER COMPOUNDS
  申请人：CARGILL, INCORPORATED

  公开号：US20190223483A1

  公开（公告）日：2019-07-25

  A steviol glycoside composition having modified sensory attributes including reduced sweetness linger and/or increased sweetness intensity. The steviol glycoside composition comprises a steviol glycoside and a sensory modifier compound in an amount effective to modify the sensory attributes of the steviol glycoside.
• STABILIZED STEVIOL GLYCOSIDE COMPOSITIONS AND USES THEREOF
  申请人：CARGILL, INCORPORATED

  公开号：US20200268027A1

  公开（公告）日：2020-08-27

  It has been surprisingly found that the presence of steviol glycoside stabilizing compounds, such as the solubility enhancers described herein, significantly increases the stability of steviol glycosides under most conditions, including highly acidic conditions (e.g., at a pH less than 2, such as the conditions to which SGs might be exposed to, in use, in a throw syrup) and/or at elevated a temperatures (e.g., at temperatures exceeding 25° C., such as at 40° C.).