Ethyl-5-mercapto-4-thiazol-carboxylat | 61830-02-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Ethyl-5-mercapto-4-thiazol-carboxylat
• 英文别名: 5-thioxo-4,5-dihydro-thiazole-4-carboxylic acid ethyl ester；[A] 5-mercapto-4-ethoxycarbonylthiazole；Ethyl 5-sulfanyl-1,3-thiazole-4-carboxylate
• CAS: 61830-02-2
• 化学式: C₆H₇NO₂S₂
• 分子量: 189.259
• InChiKey: MLUFRUPUSOVQNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 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：
  68.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氨基-5-溴噻唑-4-甲酸乙酯 生成 Ethyl-5-mercapto-4-thiazol-carboxylat
  参考文献：
  名称：

  Mercapto heterocyclic carboxylic acids, analogs of 3-mercaptopicolinic acid

  摘要：

  3-Mercaptopicolinic acid (3-MPA), a potent hypoglycemic agent in fasted rats, provided the impetus for substituting this compound with a 5-mercapto group (1), a 6-carboxyl group (2), and a 5-mercapto and 6-carboxyl group (3) and for replacing the pyridine ring with other heterocycles: quinoline (4), thiazole (5), pyrazine (6), isoquinoline (7), and indole (8). The methyl sulfoxide (9) and sulfone (10) of 3-MPA were also prepared. The new compounds 1-10, with the exception of 8, did not lower blood glucose levels in 48-h fasted rats. 8 was toxic at doses which were hypoglycemic.

  DOI：

  10.1021/jm00214a023

文献信息

• Novel cephalosporin compounds and antibacterial agents
  申请人：MEIJI SEIKA KAISHA LTD.

  公开号：EP0289002A2

  公开（公告）日：1988-11-02

  Novel cephalosporin compounds of the formula (I): wherein R¹ and R² may be the same or different and are a hydrogen atom or a lower alkyl group of 1 - 5 carbon atoms and A is a hydrogen atom or a nucleophilic compound residue or pharmacologically acceptable salts thereof have excellent antibacterial activity against Gram positive and Gram negative microorganisms.

  式(I)的新型头孢菌素化合物： 其中 R¹ 和 R² 可以相同或不同，并且是氢原子或 1 - 5 个碳原子的低级烷基，A 是氢原子或亲核化合物残基或其药理学上可接受的盐，对革兰氏阳性和革兰氏阴性微生物具有极佳的抗菌活性。
• BLANK B.; DITULLIO N. W.; OWINGS F. F.; DEVINEY L.; MIAO C. K.; SAUNDERS +, J. MED. CHEM. <JMCM-AR>, 1977, 20, NO 4, 572-576
  作者：BLANK B.、 DITULLIO N. W.、 OWINGS F. F.、 DEVINEY L.、 MIAO C. K.、 SAUNDERS +

  DOI：——

  日期：——
• US5028601A
  申请人：——

  公开号：US5028601A

  公开（公告）日：1991-07-02