N-[3-(4-methyl-piperazin-1-yl)-propyl]-1,2-dihydro-2-thioxo-3-pyridinecarbothioamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-[3-(4-methyl-piperazin-1-yl)-propyl]-1,2-dihydro-2-thioxo-3-pyridinecarbothioamide
• 英文别名: N-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide
• 化学式: C₁₄H₂₂N₄S₂
• 分子量: 310.487
• InChiKey: LLMHNEURUYYVDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  94.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(3-氨丙基)-4-甲基哌嗪 、 3H-[1,2]-dithiolo[3,4-b]pyridine-3-thione 以 乙醇 为溶剂， 生成 N-[3-(4-methyl-piperazin-1-yl)-propyl]-1,2-dihydro-2-thioxo-3-pyridinecarbothioamide
  参考文献：
  名称：

  New N-Alkyl-1,2-dihydro-2-thioxo-3-pyridinecarbothioamides as antituberculous agents with improved pharmacokinetics

  摘要：

  Infections caused by multidrug-resistant Mycobacterium tuberculosis (MT) and non-tuberculous mycobacteria are difficult to treat and, indeed new therapeutic agents are being sought. As a part of an ongoing research in our laboratories, novel N-alkyl-1,2-dihydro-2-thioxo-3-pyridinecarbothioamides have been synthesized and evaluated against several strains of NIT and Mycobacterium avium complex (MAC). The pharmacokinetics and relative bioavailability after intravenous administration of three derivatives have been investigated. Introduction of a hydroxyl or a tertiary amino group in the N-alkyl chain resulted in an improved pharmacokinetic profile without affecting sensitively the antituberculous potency. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00490-0