3-(5-P-甲苯基-呋喃-2-基)-烟酸 | 23589-06-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(5-P-甲苯基-呋喃-2-基)-烟酸
• 中文别名: 3-(5-对甲苯基-2-呋喃)-丙酸
• 英文名称: 3-(5-p-tolyl-furan-2-yl)-propionic acid
• 英文别名: 3-(5-p-Tolyl-furan-2-yl)-propionic acid；3-[5-(4-methylphenyl)furan-2-yl]propanoic acid
• CAS: 23589-06-2
• 化学式: C₁₄H₁₄O₃
• 分子量: 230.263
• InChiKey: XIEFXNUAGJCARS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2932190090

反应信息

• 作为产物：
  描述：

  4-甲苯硼酸 、 3(2-呋喃)丙酸 在 potassium fluoride 、 二(氰基苯)二氯化钯 、 1,10-菲罗啉 、 氧气 作用下， 以 1,2-二氯乙烷 为溶剂， 以56 %的产率得到3-(5-P-甲苯基-呋喃-2-基)-烟酸
  参考文献：
  名称：

  呋喃和吡咯的远程基团辅助轻松氧化芳基化

  摘要：

  借助远程含羰基基团，已经实现了富电子呋喃和吡咯的氧化 C sp2 -H 芳基化的温和策略。这些基团使 Pd 催化的呋喃氧化 C sp2 -H 芳基化能够在温暖的温度和 O 2下进行气氛，同时明显提高吡咯反应的产率。在实验结果和密度泛函理论计算的支持下，针对这些转换提出了一个原始概念，即远程组辅助 Heck 型路径。此外，发现包括芳基硼酸在内的富电子底物作为芳基化试剂具有良好的耐受性，该策略也已应用于合成 S-亚硝基谷胱甘肽还原酶抑制剂骨架的替代途径。

  DOI：

  10.1021/acscatal.2c05936

文献信息

• Dimethylarginine Dimethylaminohydrolase Inhibitors and Methods of Use Thereof
  申请人：University The Board of Trustees of the Leland Stanford Junior

  公开号：US20130224259A1

  公开（公告）日：2013-08-29

  The present disclosure provides DDAH modulators. Thus, the present disclosure provides a method of treating a patient suffering from a disorder characterized by excessive NO production and/or elevated DDAH activity, the method comprising administering to said patient an effective amount of a compound of one of formulae I-X. The present disclosure also provides a pharmaceutical composition comprising a compound of one of formulae I-X.
• Castration-Resistant Prostate Cancer
  申请人：NUtech Ventures

  公开号：US20160310528A1

  公开（公告）日：2016-10-27

  This invention relates to inhibitors of UDP-glucose dehydrogenase, and more particularly to UDP-glucose dehydrogenase inhibitors that are useful in the treatment of prostate cancer. Methods of inhibiting UDP-glucose dehydrogenase and improving the efficacy of additional prostate cancer therapies are also provided.
• US9011882B2
  申请人：——

  公开号：US9011882B2

  公开（公告）日：2015-04-21
• [EN] DIMETHYLARGININE DIMETHYLAMINOHYDROLASE INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE DIMÉTHYLARGININE DIMÉTHYLAMINOHYDROLASE ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：UNIV LELAND STANFORD JUNIOR

  公开号：WO2013123033A1

  公开（公告）日：2013-08-22

  The present disclosure provides DDAH modulators. Thus, the present disclosure provides a method of treating a patient suffering from a disorder characterized by excessive NO production and/or elevated DDAH activity, the method comprising administering to said patient an effective amount of a compound of one of formulae I-X. The present disclosure also provides a pharmaceutical composition comprising a compound of one of formulae I-X.
• [EN] DIMETHYLARGININE DIMETHYLAMINOHYDROLASE INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE DIMÉTHYLARGININE DIMÉTHYLAMINOHYDROLASE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV LELAND STANFORD JUNIOR

  公开号：WO2014160947A1

  公开（公告）日：2014-10-02

  The present disclosure provides DDAH modulators. Thus, the present disclosure provides a method of treating a patient suffering from a disorder characterized by excessive NO production and/or elevated DDAH activity, the method comprising administering to said patient an effective amount of a compound of one of formulae I-X. The present disclosure also provides a pharmaceutical composition comprising a compound of one of formulae I-X.