[3-(4-Carboxymethoxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-acetic acid | 40575-74-4

• 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: [3-(4-Carboxymethoxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-acetic acid
• 英文别名: [3-(4-carboxymethoxy-phenyl)-4-oxo-4H-chromen-7-yloxy]acetic acid；2-[4-[7-(carboxymethoxy)-4-oxochromen-3-yl]phenoxy]acetic acid
• CAS: 40575-74-4
• 化学式: C₁₉H₁₄O₈
• 分子量: 370.315
• InChiKey: HEXJPMBYSPGFTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  氯乙酸甲酯 、 [3-(4-Carboxymethoxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-acetic acid 在 三乙胺 作用下， 以 丙酮 为溶剂， 反应 8.0h， 以92.3%的产率得到[4-(7-methoxycarbonylmethoxycarbonylmethoxy-4-oxo-4H-chromen-3-yl)phenoxy]acetic acid methoxycarbonylmethyl ester
  参考文献：
  名称：

  FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM

  摘要：

  本发明涉及公式I的化合物，这些化合物是官能化酚类化合物，以及由它们形成的聚合物。从官能化酚类化合物形成的聚合物预计具有可控的降解特性，使它们能够在所需的时间范围内释放活性成分。这些聚合物还预计在各种医疗应用中有用。

  公开号：

  US20090170927A1
• 作为产物：
  描述：

  大豆甙元 在 氢氧化钾 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 74.0h， 生成 [3-(4-Carboxymethoxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-acetic acid
  参考文献：
  名称：

  Synthesis of Potential Antidipsotropic Isoflavones:  Inhibitors of the Mitochondrial Monoamine Oxidase−Aldehyde Dehydrogenase Pathway

  摘要：

  Recently we have shown that daidzin, the major active principle of an ancient herbal treatment for "alcohol addiction", suppresses ethanol intake in alcohol-preferring laboratory animals. Further, we have identified the monoamine oxidase (MAO)-aldehyde dehydrogenase (ALDH-2) pathway of the mitochondria as the potential site of action of daidzin. Daidzin analogues that potently inhibit ALDH-2 but have no or little effect on MAO are most antidipsotropic, whereas those that also inhibit MAO exhibit little, if any, antidipsotropic activity. Therefore, in the design and synthesis of more potent antidipsotropic analogues, structural features important for the inhibition of both ALDH-2 and MAO must be taken into consideration. To gain further information on the structure-activity relationships at the inhibitor binding sites of ALDH-2 and MAO, we prepared 44 analogues of daidzin and determined their potencies for ALDH-2 and MAO inhibition. Results indicate that a sufficient set of criteria for a potent antidipsotropic analogue is an isoflavone with a free 4 ' -OH function and a straight-chain alkyl substituent at the 7 position that has a terminal polar function such as -OH, -COOH, or -NH2. The preferable chain lengths for the 7-O-omega -hydroxy, 7-O-omega -carboxy, and 7-O-omega -amino subsitutents are 2 less than or equal to n less than or equal to 6, 5 less than or equal to 5 n less than or equal to 10, and n greater than or equal to 4, respectively. Analogues that meet these criteria have increased potency for ALDH-2 inhibition and/or decreased potency for MAO inhibition and therefore are likely to be potent antidipsotropic agents.

  DOI：

  10.1021/jm0101390

文献信息

• CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS
  申请人：Bezwada Rao S.

  公开号：US20090060979A1

  公开（公告）日：2009-03-05

  The present invention relates to biodegradable polymers (e.g., polyesters and polyester amides) derived from functionalized biologically active compounds that can provide site specific delivery of bioactive compounds upon biodegradation in a controlled manner.

  本发明涉及由功能化的生物活性化合物衍生出的可生物降解聚合物（例如聚酯和聚酰胺），这些聚合物可以在控制的方式下在生物降解时提供生物活性化合物的位点特异性输送。
• Functionalized sinapic acid and methyl sinapate
  申请人：Bezwada Biomedical, LLC

  公开号：US08318973B2

  公开（公告）日：2012-11-27

  The present invention relates to compounds of formula I, which are functionalized phenolic compounds, and polymers formed from the same. Ar—[O—(X)p—R′]q  I Polymers formed from the functionalized phenolics are expected to have controllable degradation profiles, enabling them to release an active component over a desired time range. The polymers are also expected to be useful in a variety of medical applications.

  本发明涉及式I的化合物，它们是功能化酚类化合物，以及由它们形成的聚合物。 Ar—[O—(X)p—R′]q  I 从功能化酚类化合物形成的聚合物预计具有可控的降解特性，使它们能够在所需的时间范围内释放活性成分。这些聚合物还预计在各种医疗应用中有用。
• Functionalized phenolic compounds and polymers therefrom
  申请人：Bezwada Biomedical, LLC

  公开号：US08802892B2

  公开（公告）日：2014-08-12

  The present invention relates to compounds of formula I, which are functionalized phenolic compounds, and polymers formed from the same. Ar—[O—(X)p—R′]q  I Polymers formed from the functionalized phenolics are expected to have controllable degradation profiles, enabling them to release an active component over a desired time range. The polymers are also expected to be useful in a variety of medical applications.

  本发明涉及公式I的化合物，它们是功能化的酚类化合物，以及由它们形成的聚合物。Ar- [O-（X）p-R' ] q I预期从功能化酚类中形成的聚合物具有可控的降解特性，使它们能够在所需的时间范围内释放活性成分。预计这些聚合物也将在各种医疗应用中发挥作用。
• FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM
  申请人：Bezwada Biomedical LLC

  公开号：EP1951260A2

  公开（公告）日：2008-08-06
• US8217134B2
  申请人：——

  公开号：US8217134B2

  公开（公告）日：2012-07-10