甲基2-氨基-4-(羟基甲基)-1,3-噻唑-5-羧酸酯 | 25039-76-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 甲基2-氨基-4-(羟基甲基)-1,3-噻唑-5-羧酸酯
• 英文名称: methyl 2-amino-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
• 英文别名: 2-Amino-4-hydroxymethyl-5-methoxycarbonyl-thiazol；2-amino-4-hydroxymethyl-thiazole-5-carboxylic acid methyl ester；Methyl 2-amino-4-(hydroxymethyl)thiazole-5-carboxylate
• CAS: 25039-76-3
• 化学式: C₆H₈N₂O₃S
• 分子量: 188.207
• InChiKey: XDZUHQWCEHXXAJ-UHFFFAOYSA-N

物化性质

• 熔点：
  188 °C(Solv: methanol (67-56-1))
• 沸点：
  425.4±35.0 °C(Predicted)
• 密度：
  1.492±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  甲基2-氨基-4-(羟基甲基)-1,3-噻唑-5-羧酸酯 在 咪唑 、 亚硝酸特丁酯 、 copper dichloride 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 4.17h， 生成 methyl 2-chloro-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
  参考文献：
  名称：

  WO2008/20222

  摘要：

  公开号：
• 作为产物：
  描述：

  甲醇 、 2-(4-hydroxy-2-oxo-2,5-dihydro-furan-3-yl)-isothiourea; hydrobromide 生成 甲基2-氨基-4-(羟基甲基)-1,3-噻唑-5-羧酸酯
  参考文献：
  名称：

  Albers,H.; Mohler,W., Chemische Berichte, 1963, vol. 96, p. 357 - 362

  摘要：

  DOI：

文献信息

• New Piperazine Compound and Use Thereof as a HCV Polymerase Inhibitor
  申请人：Abe Hiroyuki

  公开号：US20080081818A1

  公开（公告）日：2008-04-03

  The present invention relates to a compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable salt thereof, or a solvate thereof and an anti-HCV agent and an HCV polymerase inhibitor containing this compound. The compound of the present invention shows an anti-HCV activity based on the HCV polymerase inhibitory activity, and useful as an agent for the prophylaxis or treatment of hepatitis C.

  本发明涉及一种由以下式[I]表示的化合物，其中每个符号如规范中定义，或其药学上可接受的盐，或其溶剂化合物，以及含有该化合物的抗HCV剂和HCV聚合酶抑制剂。本发明的化合物基于HCV聚合酶抑制活性显示出抗HCV活性，并且可用作预防或治疗丙型肝炎的药剂。
• Piperazine compound and use thereof as a HCV polymerase inhibitor
  申请人：Japan Tobacco Inc.

  公开号：US08017612B2

  公开（公告）日：2011-09-13

  The present invention relates to a compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable salt thereof, or a solvate thereof and an anti-HCV agent and an HCV polymerase inhibitor containing this compound. The compound of the present invention shows an anti-HCV activity based on the HCV polymerase inhibitory activity, and useful as an agent for the prophylaxis or treatment of hepatitis C.

  本发明涉及以下式[I]所表示的化合物，其中每个符号如规范中所定义，或其药学上可接受的盐，或其溶剂化物，以及含有该化合物的抗HCV剂和HCV聚合酶抑制剂。本发明的化合物基于HCV聚合酶抑制活性显示出抗HCV活性，并可用作预防或治疗丙型肝炎的药物。
• NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR
  申请人：Abe Hiroyuki

  公开号：US20120107273A1

  公开（公告）日：2012-05-03

  The present invention relates to a compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable salt thereof, or a solvate thereof and an anti-HCV agent and an HCV polymerase inhibitor containing this compound. The compound of the present invention shows an anti-HCV activity based on the HCV polymerase inhibitory activity, and useful as an agent for the prophylaxis or treatment of hepatitis C.

  本发明涉及一种由下式[I]表示的化合物，其中每个符号如规范所定义，或其药学上可接受的盐，或其溶剂化物，以及含有该化合物的抗HCV剂和HCV聚合酶抑制剂。本发明的化合物基于HCV聚合酶抑制活性表现出抗HCV活性，可作为预防或治疗丙型肝炎的药剂。
• PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY
  申请人：Basarab Gregory

  公开号：US20100286181A1

  公开（公告）日：2010-11-11

  Compounds of formula (I) and their pharmaceutically acceptable salts are described. Processes for their preparation, pharmaceutical compositions containing them, their use as medicaments and their use in the treatment of bacterial infections are also described.

  本文描述了化学式（I）的化合物及其药用可接受的盐。还描述了制备它们的过程，含有它们的药物组合物，它们作为药物的用途以及它们在治疗细菌感染方面的用途。
• NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR
  申请人：Japan Tobacco, Inc.

  公开号：EP2009004A1

  公开（公告）日：2008-12-31

  The present invention relates to a compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable salt thereof, or a solvate thereof and an anti-HCV agent and an HCV polymerase inhibitor containing this compound. The compound of the present invention shows an anti-HCV activity based on the HCV polymerase inhibitory activity, and useful as an agent for the prophylaxis or treatment of hepatitis C.

  本发明涉及下式[I]所代表的化合物 其中各符号如说明书中所定义，或其药学上可接受的盐，或其溶液，以及含有该化合物的抗HCV药剂和HCV聚合酶抑制剂。本发明的化合物具有基于 HCV 聚合酶抑制活性的抗 HCV 活性，可用作丙型肝炎的预防或治疗剂。