5-thioxo-2,5-dihydro-[1,2,3]thiadiazole-4-carboxylic acid; dipotassium salt | 69893-83-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-thioxo-2,5-dihydro-[1,2,3]thiadiazole-4-carboxylic acid; dipotassium salt
• CAS: 69893-83-0
• 化学式: C₃N₂O₂S₂*K
• 分子量: 199.276
• InChiKey: KPSZXZKWHZFQPW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -4.19
• 重原子数：
  10.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.91
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  碘乙烷 、 5-thioxo-2,5-dihydro-[1,2,3]thiadiazole-4-carboxylic acid; dipotassium salt 以 乙醇 为溶剂， 生成 Ethylthio-1,2,3-thiadiazol-4-carbonsaeure
  参考文献：
  名称：

  Demaree,P. et al., Journal of Heterocyclic Chemistry, 1978, vol. 15, p. 1295 - 1298

  摘要：

  DOI：

文献信息

• 3-[(1,2,3-Thiadiazol-5-ylthio)methyl]cephalosporins
  作者：Graham S. Lewis、Peter H. Nelson

  DOI：10.1021/jm00196a012

  日期：1979.10

  The syntheses of ten 3-](1,2,3-thiadiazol-5-ylthio)methyl]cephalosporins, made by displacement of the 3'-acetoxy group by the novel thiol derivatives, potassium 1,2,3-thiadiazole-5-thiolate and dipotassium 1,2,3-thiadiazole-4-carboxylate-5-thiolate, are described. Several of the compounds showed good in vitro antibacterial activity against both Gram-positive and Gram-negative organisms. The subcutaneous in vivo activities against Staphylococcus aureus were generally less than that of cafazolin. Four of the compounds were administered orally and all were active; the 7 beta-(thiophen-2-acetamido) and 7 beta-(D-2-amino-2-phenylacetamido)-3-[(1,2,3-thiadiazol-5-ylthio)methyl] compounds were equally active by either route, with a PD50 of ca. 1 mg/kg.