N-(2-Hydroxyethyl)-2-mercapto-3-pyridinecarbothioamide | 260541-34-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(2-Hydroxyethyl)-2-mercapto-3-pyridinecarbothioamide
• 英文别名: N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carbothioamide
• CAS: 260541-34-2
• 化学式: C₈H₁₀N₂OS₂
• 分子量: 214.312
• InChiKey: FLEZWDLZIREEOR-UHFFFAOYSA-N

物化性质

• 熔点：
  151-153 °C
• 沸点：
  361.7±52.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  C.I.酸性橙108 、 3H-[1,2]-dithiolo[3,4-b]pyridine-3-thione 以 乙醇 为溶剂， 生成 N-(2-Hydroxyethyl)-2-mercapto-3-pyridinecarbothioamide
  参考文献：
  名称：

  Synthesis and in Vitro Anti-Mycobacterium Activity of N-Alkyl-1,2-dihydro-2-thioxo-3-pyridinecarbothioamides. Preliminary Toxicity and Pharmacokinetic Evaluation

  摘要：

  Disseminated infections with Mycobacterium tuberculosis (MT) and Mycobacterium avium complex (MAC) are increasingly opportunistic diseases in patients with advanced acquired human immunodeficiency syndrome (AIDS). A series of N-alkyl-1,2-dihydro-2-thioxo-3-pyridinecarbothioamides has been synthesized, and MICs for MT and MAC strains, either standard or isolated from infected patients, have been determined. Preliminary tests show a good activity and a very low toxicity for some derivatives. Pharmacokinetic studies in the rat show a very rapid elimination from the body after intravenous administration and a poor absorption after oral administration.

  DOI：

  10.1021/jm991044p

文献信息

• Synthesis and in Vitro Anti<i>-Mycobacterium </i>Activity of <i>N</i>-Alkyl-1,2-dihydro-2-thioxo-3-pyridinecarbothioamides. Preliminary Toxicity and Pharmacokinetic Evaluation
  作者：Giuseppe Pagani、Massimo Pregnolato、Daniela Ubiali、Marco Terreni、Claudio Piersimoni、Francesco Scaglione、Franco Fraschini、Alicia Rodríguez Gascón、José Luis Pedraz Muñoz

  DOI：10.1021/jm991044p

  日期：2000.1.1

  Disseminated infections with Mycobacterium tuberculosis (MT) and Mycobacterium avium complex (MAC) are increasingly opportunistic diseases in patients with advanced acquired human immunodeficiency syndrome (AIDS). A series of N-alkyl-1,2-dihydro-2-thioxo-3-pyridinecarbothioamides has been synthesized, and MICs for MT and MAC strains, either standard or isolated from infected patients, have been determined. Preliminary tests show a good activity and a very low toxicity for some derivatives. Pharmacokinetic studies in the rat show a very rapid elimination from the body after intravenous administration and a poor absorption after oral administration.