2-(4-methylthiazol-5-yl)ethyl 4-methylbenzenesulfonate | 109949-23-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-methylthiazol-5-yl)ethyl 4-methylbenzenesulfonate
• 英文别名: 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylbenzenesulfonate
• CAS: 109949-23-7
• 化学式: C₁₃H₁₅NO₃S₂
• 分子量: 297.399
• InChiKey: WOCSDTQNUUXKJH-UHFFFAOYSA-N

物化性质

• 沸点：
  465.5±33.0 °C(Predicted)
• 密度：
  1.292±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  92.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-methylthiazol-5-yl)ethyl 4-methylbenzenesulfonate 在 硫酸 作用下， 以 丁酮 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Brembilla, Alain; Roizard, Denis; Lochon, Pierre, Journal de Chimie Physique et de Physico-Chimie Biologique, 1986, vol. 83, # 9, p. 577 - 588

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲基-5-(beta-羟乙基)噻唑 、 对甲苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以85%的产率得到2-(4-methylthiazol-5-yl)ethyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  含有噻唑鎓和咪唑鎓辅酶模拟物的人工酶

  摘要：

  在改性聚乙烯亚胺酶模拟物存在下，疏水性噻唑鎓和咪唑鎓辅酶模拟物催化安息香缩合反应比单独的辅酶模拟物快 2300-3300 倍。聚阳离子酶模拟物不仅为辅酶和底物提供疏水结合域，而且还为沿安息香缩合反应途径产生的阴离子物质提供静电稳定。

  DOI：

  10.1021/ja804577q

文献信息

• NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS
  申请人：Kolasa Teodozyj

  公开号：US20090247500A1

  公开（公告）日：2009-10-01

  Disclosed herein are compounds of formula (I) wherein R 1 , R 2 , R 3 , R 25a , R 26a , X, and n are as defined in the specification. Pharmaceutical compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and pharmaceutical compositions are also described.

  本文披露了以下式（I）的化合物 其中R 1 ，R 2 ，R 3 ，R 25a ，R 26a ，X和n如规范中所定义。还描述了包含这些化合物的药物组合物，以及使用这些化合物和药物组合物治疗疾病和疾病的方法。
• Artificial Enzymes with Thiazolium and Imidazolium Coenzyme Mimics
  作者：Huanyu Zhao、Frank W. Foss、Ronald Breslow

  DOI：10.1021/ja804577q

  日期：2008.9.24

  Hydrophobic thiazolium and imidazolium coenzyme mimics in the presence of modified-polyethylenimine enzyme mimics catalyze the benzoin condensation 2300-3300 times faster than the coenzyme mimics alone. Polycationic enzyme mimics provide not only a hydrophobic binding domain for coenzyme and substrate, but also electrostatic stabilization of anionic species that arise along the reaction pathway of

  在改性聚乙烯亚胺酶模拟物存在下，疏水性噻唑鎓和咪唑鎓辅酶模拟物催化安息香缩合反应比单独的辅酶模拟物快 2300-3300 倍。聚阳离子酶模拟物不仅为辅酶和底物提供疏水结合域，而且还为沿安息香缩合反应途径产生的阴离子物质提供静电稳定。
• Fluoroethyl thiamine or salts thereof and application thereof in preparation of anticoccidial drugs
  申请人：GUANGZHOU ORIGMOL FEED-ADDITIVE CO., LTD

  公开号：US09096581B2

  公开（公告）日：2015-08-04

  The present invention discloses a fluoroethyl thiamine or salts thereof and application thereof in preparation of anticoccidial drugs. The structural formula of the fluoroethyl thiamine or salts thereof is shown as Formula (I). The fluoroethyl thiamine or salts thereof of the present invention have a remarkable anticoccidial effect, particularly on some coccidia which had resistance to other anticoccidial drugs, therefore the fluoroethyl thiamine or salts thereof of the present invention can be applied to preparation of anticoccidial drugs. Thus, the present invention provides conditions for development of new anticoccidial drugs.

  本发明公开了一种氟乙基硫胺或其盐以及其在制备抗球虫药物中的应用。该氟乙基硫胺或其盐的结构式如化学式（I）所示。本发明的氟乙基硫胺或其盐对一些对其他抗球虫药物具有抗药性的球虫具有显著的抗球虫效果，因此本发明的氟乙基硫胺或其盐可应用于制备抗球虫药物。因此，本发明为新型抗球虫药物的开发提供了条件。
• FLUOROETHYL THIAMINE OR SALTS THEREOF AND APPLICATION THEREOF IN PREPARATION OF ANTICOCCIDIAL DRUGS
  申请人：GUANGZHOU ORIGMOL FEED-ADDITIVE CO., LTD

  公开号：US20150133480A1

  公开（公告）日：2015-05-14

  The present invention discloses a fluoroethyl thiamine or salts thereof and application thereof in preparation of anticoccidial drugs. The structural formula of the fluoroethyl thiamine or salts thereof is shown as Formula (I). The fluoroethyl thiamine or salts thereof of the present invention have a remarkable anticoccidial effect, particularly on some coccidia which had resistance to other anticoccidial drugs, therefore the fluoroethyl thiamine or salts thereof of the present invention can be applied to preparation of anticoccidial drugs. Thus, the present invention provides conditions for development of new anticoccidial drugs.

  本发明公开了一种氟乙基硫胺或其盐，以及其在制备抗球虫药物中的应用。本发明的氟乙基硫胺或其盐的结构式如式（I）所示。本发明的氟乙基硫胺或其盐对一些对其他抗球虫药物具有抗药性的球虫具有显著的抗球虫效果，因此本发明的氟乙基硫胺或其盐可用于制备抗球虫药物。因此，本发明为新抗球虫药物的开发提供了条件。
• RADIOISOTOPE 18F SUBSTITUTED THIAMINE, AND SYNTHESIS METHOD AND USE THEREOF
  申请人：ZHONGSHAN HOSPITAL FUDAN UNIVERSITY

  公开号：US20180237358A1

  公开（公告）日：2018-08-23

  The present invention discloses a radioisotope 18 F substituted thiamine, synthesis method, and use thereof in small animal PET/CT imaging. The radioisotope 18 F substituted thiamine has a structure of The synthesis method comprises radiochemical synthesis by using existing precursors. In the present invention, the hydroxyl in the hydroxyethyl on the thiazole cycle of thiamine is replaced by radioisotope 18 F, to prepare a PET tracer. The radioisotope 18 F substituted thiamine of the present invention successfully enters the brains of various strains of mice, and the uptake in the brains of thiamine-deficient mice is obviously greater than that in normal control. The present invention is useful in the preparation of a brain imaging tracer for clinical trials of Alzheimer's disease and tumors.

  本发明公开了一种放射性同位素18F替代硫胺素、合成方法及其在小动物PET/CT成像中的应用。放射性同位素18F替代硫胺素的结构如下：合成方法通过使用现有的前体进行放射化学合成。本发明中，硫胺素噻唑环上羟乙基中的羟基被放射性同位素18F替代，以制备PET示踪剂。本发明的放射性同位素18F替代硫胺素成功进入各种小鼠的大脑，硫胺素缺乏小鼠大脑中的摄取量明显高于正常对照组。本发明在制备用于阿尔茨海默病和肿瘤临床试验的脑成像示踪剂方面具有实用价值。