4,4'-diethyl-2,2'-bithiazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,4'-diethyl-2,2'-bithiazole
• 英文别名: 4-Ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole
• 化学式: C₁₀H₁₂N₂S₂
• 分子量: 224.351
• InChiKey: HEOKYVJFEIQFLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  82.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,4'-diethyl-2,2'-bithiazole 在 溴 作用下， 以 氯仿 为溶剂， 以62.3%的产率得到5,5'-dibromo-4,4'-diethyl-2,2'-bithiazole
  参考文献：
  名称：

  Synthesis and Photophysical Properties of a Photoelectrochromic Polymer Containing the bis(2-(4-Pyridiniumyl)thiazole) Chromophore

  摘要：

  我们合成了一种新的聚合物和含有发色团双(2-(4-吡啶基)噻唑)的小分子。在稳定的光照射下，它们的四苯基硼酸盐在可见光到近红外区域显示出吸收光谱变化，并伴随着从黄色到绿色的颜色变化。通过电子自旋共振测量以及与分子轨道 PACkage（MOPAC）计算的比较，我们认为这是由于四苯基硼酸盐在光诱导下发生电子转移反应，形成了双（2-(4-吡啶基)噻唑）自由基，并分解了其氧化形式。在飞秒激光激发固体薄膜和溶液中的聚合物时，可观察到与四苯基硼酸盐相应的瞬态吸收光谱。由于反向电子转移，瞬态吸收的最快衰减时间小于 1 皮秒。

  DOI：

  10.1071/ch09099
• 作为产物：
  描述：

  二硫代乙酰胺 、 溴丁酮 以 乙醇 为溶剂， 反应 7.0h， 以59%的产率得到4,4'-diethyl-2,2'-bithiazole
  参考文献：
  名称：

  Synthesis and Photophysical Properties of a Photoelectrochromic Polymer Containing the bis(2-(4-Pyridiniumyl)thiazole) Chromophore

  摘要：

  我们合成了一种新的聚合物和含有发色团双(2-(4-吡啶基)噻唑)的小分子。在稳定的光照射下，它们的四苯基硼酸盐在可见光到近红外区域显示出吸收光谱变化，并伴随着从黄色到绿色的颜色变化。通过电子自旋共振测量以及与分子轨道 PACkage（MOPAC）计算的比较，我们认为这是由于四苯基硼酸盐在光诱导下发生电子转移反应，形成了双（2-(4-吡啶基)噻唑）自由基，并分解了其氧化形式。在飞秒激光激发固体薄膜和溶液中的聚合物时，可观察到与四苯基硼酸盐相应的瞬态吸收光谱。由于反向电子转移，瞬态吸收的最快衰减时间小于 1 皮秒。

  DOI：

  10.1071/ch09099

文献信息

• Derivatives of pyridine and quinoline
  申请人：Lacal Sanjuan Juan Carlos

  公开号：US20070185170A1

  公开（公告）日：2007-08-09

  The invention provides compounds of formula I blocking phosphorylcholine biosynthesis by means of the selective blocking of the choline kinase enzyme in tumor cells or in cells affected by parasitic infection and therefore being applicable in the treatment of tumors and parasitic diseases or diseases produced by viruses and fungi in animals, including human beings; as well as to a method for preparing the compounds of the invention and certain intermediates of said method.

  本发明提供了I式化合物，通过选择性阻断肿瘤细胞或受寄生虫感染的细胞中的胆碱激酶酶的方式，阻断磷酸胆碱生物合成，因此可应用于治疗动物，包括人类中的肿瘤和寄生虫病或由病毒和真菌引起的疾病;以及一种制备本发明化合物和该方法的某些中间体的方法。
• PYRIDINIUM AND QUINOLINIUM DERIVATIVES
  申请人：Lacal Sanjuán Juan Carlos

  公开号：US20110178124A1

  公开（公告）日：2011-07-21

  The invention provides compounds of formula I blocking phosphorylcholine biosynthesis by means of the selective blocking of the choline kinase enzyme in tumor cells or in cells affected by parasitic infection and therefore being applicable in the treatment of tumors and parasitic diseases or diseases produced by viruses and fungi in animals, including human beings; as well as to a method for preparing the compounds of the invention and certain intermediates of said method.

  本发明提供了一种公式I的化合物，通过选择性阻断肿瘤细胞或受寄生虫感染的细胞中的胆碱激酶酶的方式阻断磷酸胆碱生物合成，因此可应用于治疗动物（包括人类）中的肿瘤和寄生虫病或由病毒和真菌引起的疾病；以及用于制备本发明化合物和该方法的某些中间体。
• Pyridinium and quinolinium derivatives as Choline kinase inhibitors
  申请人：Consejo Superior De Investigaciones Científicas

  公开号：EP2085386A2

  公开（公告）日：2009-08-05

  The invention provides compounds of formula I blocking phosphorylcholine biosynthesis by means of the selective blocking of the choline kinase enzyme in tumor cells or in cells affected by parasitic infection and therefore being applicable in the treatment of tumors and parasitic diseases or diseases produced by viruses and fungi in animals, including human beings; as well as to a method for preparing the compounds of the invention and certain intermediates of said method.

  本发明提供了通过选择性阻断肿瘤细胞或受寄生虫感染细胞中的胆碱激酶，从而阻断磷酸胆碱生物合成的式 I 化合物，因此适用于治疗肿瘤和寄生虫病或由病毒和真菌引起的动物（包括人类）疾病；以及制备本发明化合物的方法和所述方法的某些中间体。
• METHODS FOR THE TREATMENT AND DIAGNOSIS OF CANCER
  申请人：Traslational Cancer Drugs Pharma, S.L.

  公开号：EP2316970A2

  公开（公告）日：2011-05-04

  The present invention relates to methods for the treatment of cancer based on the induction of the choline kinase beta (hereinafter ChoKβ) activity as well as to methods for the design of personalized therapies and for determining the response of an agent capable of inducing choline kinase beta (hereinafter ChoKβ) for the treatment of cancer as well as to methods for determining the prognosis of a patient based on the determination of the ChoKβ expression levels as well as based on the determination of the relationship between the ChoKβ and ChoKα expression levels. Finally, the invention relates to methods for determining the response of a patient who suffers from cancer to ChoKα-inhibiting agents based on the determination of the PEMT and/or ChoKp expression levels.

  本发明涉及基于诱导胆碱激酶β（以下简称ChoKβ）活性治疗癌症的方法，以及设计个性化疗法和确定能够诱导胆碱激酶β（以下简称ChoKβ）的药物对治疗癌症的反应的方法，还涉及基于确定ChoKβ表达水平以及基于确定ChoKβ和ChoKα表达水平之间的关系确定患者预后的方法。最后，本发明涉及根据PEMT和/或ChoKp表达水平的测定来确定癌症患者对ChoKα抑制剂的反应的方法。
• METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER
  申请人：Ramirez De Molina Ana

  公开号：US20100068302A1

  公开（公告）日：2010-03-18

  The invention relates to compositions comprising an acid ceramidase inhibitor and a choline kinase inhibitor as well as to the uses thereof for the treatment of cancer. The invention also relates to methods for the selection of an individualised therapy of a cancer patient based on the detection of the acid ceramidase levels. Moreover, the invention also relates to compositions comprising a choline kinase inhibitor and an alkylating agent and uses thereof for the treatment of cancer. Finally, the invention also relates to compositions comprising a choline kinase inhibitor and an alkylating agent or a death receptor ligand and uses thereof for the treatment of cancer.