potassium 2-methyl-5-mercapto-1,3,4-thiadiazole | 79929-61-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: potassium 2-methyl-5-mercapto-1,3,4-thiadiazole
• 英文别名: Potassium;5-methyl-1,3,4-thiadiazole-2-thiolate
• CAS: 79929-61-6
• 化学式: C₃H₃N₂S₂*K
• 分子量: 170.301
• InChiKey: DOLYPOKJFDZUEJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.24
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Chloromethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester 、 potassium 2-methyl-5-mercapto-1,3,4-thiadiazole 生成 7-Methoxy-3-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanylmethyl)-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  SHAH, SHRENIK K.;BRAUSE, KAREN A.;CHANDLER, GILBERT O.;FINKE, PAUL E.;ASH+, J. MED. CHEM., 33,(1990) C. 2529-2535

  摘要：

  DOI：

文献信息

• Inhibition of human leukocyte elastase. 3. Synthesis and activity of 3'-substituted cephalosporins
  作者：Shrenik K. Shah、Karen A. Brause、Gilbert O. Chandler、Paul E. Finke、Bonnie M. Ashe、Hazel Weston、Wilson B. Knight、Alan L. Maycock、James B. Doherty

  DOI：10.1021/jm00171a030

  日期：1990.9

  Several 3'-substituted cephalosporin sulfones were synthesized from 3-(hydroxymethyl)cephalosporin, which was prepared by Ti(OiPr)4 hydrolysis of the corresponding acetate. A method was also developed to prepare a 3-vinylcephalosporin. Some of these compound were found to be potent time-dependent inhibitors of human leukocyte elastase (HLE). The HLE inhibitory activity was correlated with sigma 1 and it was concluded that the potency was determined by the electron-withdrawing ability as well as the size of the substituent. A mechanism for inhibition of HLE by cephalosporin sulfones is proposed.