benzylidenepyruvic acid sodium salt

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: benzylidenepyruvic acid sodium salt
• 英文别名: Sodium 2-oxo-4-phenylbut-3-enoate；sodium;(E)-2-oxo-4-phenylbut-3-enoate
• 化学式: C₁₀H₇O₃*Na
• 分子量: 198.154
• InChiKey: VXWQPXSMJBBUFW-UHDJGPCESA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.98
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzylidenepyruvic acid sodium salt 在 硫酸 、 溴 作用下， 以 氯仿 、 水 为溶剂， 反应 2.0h， 生成 3,4-dibromo-2-oxo-4-phenyl-butyric acid
  参考文献：
  名称：

  Synthesis of some substituted furan-2(5H)-ones and derived quinoxalinones as potential anti-microbial and anti-cancer agents

  摘要：

  In search for novel anti-cancer and anti-microbial agents with promising pharmacotoxicological profile, the synthesis of some substituted 4-halofuran-2(5H)-ones (8a-l, 9, 11) and derived halogenated quinoxalin-2(1H)-ones (12a-d) is described. Some of the halogenated furanones were readily oxidized to the corresponding 2-bromo-2-propenoic acids (13a-c) with hydrogen peroxide in alkaline medium. Twenty-two compounds were preliminary tested for their in vitro activity against three bacteria and one fungus and revealed encouraging activity. On the other hand, three compounds were screened as anti-cancer agents using cell line panel protocol and 22 compounds were subjected to cycline-dependent kinases (CDKs) inhibition screening program but were inactive.

  DOI：

  10.1007/s00044-010-9394-2
• 作为产物：
  描述：

  sodium pyruvate 、 苯甲醛 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 benzylidenepyruvic acid sodium salt
  参考文献：
  名称：

  Synthesis of some substituted furan-2(5H)-ones and derived quinoxalinones as potential anti-microbial and anti-cancer agents

  摘要：

  In search for novel anti-cancer and anti-microbial agents with promising pharmacotoxicological profile, the synthesis of some substituted 4-halofuran-2(5H)-ones (8a-l, 9, 11) and derived halogenated quinoxalin-2(1H)-ones (12a-d) is described. Some of the halogenated furanones were readily oxidized to the corresponding 2-bromo-2-propenoic acids (13a-c) with hydrogen peroxide in alkaline medium. Twenty-two compounds were preliminary tested for their in vitro activity against three bacteria and one fungus and revealed encouraging activity. On the other hand, three compounds were screened as anti-cancer agents using cell line panel protocol and 22 compounds were subjected to cycline-dependent kinases (CDKs) inhibition screening program but were inactive.

  DOI：

  10.1007/s00044-010-9394-2

文献信息

• Development of Luminescent Europium(III) and Terbium(III) chelates of 2,2′:6′,2″- terpyridine derivatives for protein labelling
  作者：Veli-Matti Mukkala、Matti Helenius、Ilka Hemmilä、Jouko Kankare、Harri Takalo

  DOI：10.1002/hlca.19930760323

  日期：1993.5.12

  The synthesis and luminescence properties are reported for 20 different chelates composed of 2,2′:6′,2″-terpyridine as the energy-absorbing and donating group, EuIIIand TbIII as the emitting ions, methylenenitrilo(acetic acids) as the stabel chelate-forming moieties, and isothiocyanato or(4,6-dichloro-1,3,5-triazin-2-yl)amino groups as the activated moieties for coupling to biomolecules.

  报告了20种不同螯合物的合成和发光性能，这些螯合物由2,2'：6'，2''-三联吡啶作为能量吸收和供电基团，Eu III和Tb III作为发射离子，亚甲基三乙酸（乙酸）作为稳定的形成螯合物的部分，以及异硫氰酸根合或（4,6-二氯-1,3,5-三嗪-2-基）氨基作为与生物分子偶联的活化部分。
• [EN] BUTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND USE FOR THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES<br/>[FR] DERIVES D'ACIDE BUTENOIQUE, PROCEDES DE PREPARATION DE CES DERIVES, COMPOSITIONS PHARMACEUTIQUES COMPRENANT CES DERIVES ET UTILISATION DE CES DERIVES DANS LE TRAITEMENT DE LA DYSLIPIDEMIE, DE L'ATHEROSCLEROSE ET DU DIABETE
  申请人：MERCK PATENT GMBH

  公开号：WO2005014521A1

  公开（公告）日：2005-02-17

  The present invention relates to butenoic acid derivatives of the formula (I) in which R, R1, R2 and R3 are as defined in the description, and also to processes for the preparation thereof, to pharmaceutical compositions comprising them and to their use for the treatment of dyslipidaemia, atherosclerosis and diabetes.

  本发明涉及式（I）的丁烯酸衍生物，其中R、R1、R2和R3如描述中定义的那样，以及其制备方法、包含它们的药物组成物和用于治疗失调脂质症、动脉硬化和糖尿病的用途。
• Butenoic acid derivatives processes for the preparation thereof pharmaceutical compositions comprising them and use for the treatment of dyslipidaemia atherosclerosis and diabetes
  申请人：Zeiller Jean-Jacques

  公开号：US20060178434A1

  公开（公告）日：2006-08-10

  The present invention relates to butenoic acid derivatives of the formula I: in which R, R 1 , R 2 and R 3 are as defined in the description, and also to processes for the preparation thereof, to pharmaceutical compositions comprising them and to their use for the treatment of dyslipidaemia, atherosclerosis and diabetes.

  本发明涉及公式I的丁烯酸衍生物，其中R，R1，R2和R3如描述中定义的那样，以及其制备过程，包括它们的药物组成物和用于治疗失调脂质症，动脉硬化和糖尿病的用途。
• Butenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and use for the treatment of dyslipidaemia, atherosclerosis and diabetes
  申请人：Zeiller Jean-Jacques

  公开号：US20100261789A1

  公开（公告）日：2010-10-14

  The present invention relates to butenoic acid derivatives of the formula I: in which R, R 1 , R 2 and R 3 are as defined in the description, and also to processes for the preparation thereof, to pharmaceutical compositions comprising them and to their use for the treatment of dyslipidaemia, atherosclerosis and diabetes.

  本发明涉及公式I的丁烯酸衍生物：其中R、R1、R2和R3如描述中所定义的，并且涉及其制备方法、包含它们的制药组合物以及它们用于治疗血脂异常、动脉硬化和糖尿病的用途。
• Siavinska; Sile; Korchagova, Synthetic Communications, 1996, vol. 26, # 11, p. 2229 - 2233
  作者：Siavinska、Sile、Korchagova、Katkevich、Lukevics

  DOI：——

  日期：——