3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-ylthio)-N-benzylpropanamide

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-ylthio)-N-benzylpropanamide
• 英文别名: N-benzyl-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide；N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
• 化学式: C₁₇H₁₆N₄OS₂
• 分子量: 356.472
• InChiKey: HPZRTUOUHUHDIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  potassium 4-pyridinyldithiocarbazate 在 硫酸 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-ylthio)-N-benzylpropanamide
  参考文献：
  名称：

  Linked pyridinyl-thiadiazoles: Design and synthesis as potential candidate for treatment of XDR and MDR tuberculosis

  摘要：

  Multi-drug resistant (MDR) and extremely drug resistant (XDR) Mycobacterium tuberculosis strains have turned tuberculosis (TB) as "on the verge of eradication" to "most life threatening" disease. Furthermore, synergy with HIV and other immunosuppressive disease have strengthened its prevalence. This research reports small molecule anti-infectives which are specifically potent against several strains and isolates of TB. The hit compound 7f has also proved to be active against almost 25 clinical isolates comparable to marketed anti-TB agents. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.07.039

文献信息

• Linked pyridinyl-thiadiazoles: Design and synthesis as potential candidate for treatment of XDR and MDR tuberculosis
  作者：Niranjan S. Mahajan、S.C. Dhawale

  DOI：10.1016/j.ejmech.2015.07.039

  日期：2015.9

  Multi-drug resistant (MDR) and extremely drug resistant (XDR) Mycobacterium tuberculosis strains have turned tuberculosis (TB) as "on the verge of eradication" to "most life threatening" disease. Furthermore, synergy with HIV and other immunosuppressive disease have strengthened its prevalence. This research reports small molecule anti-infectives which are specifically potent against several strains and isolates of TB. The hit compound 7f has also proved to be active against almost 25 clinical isolates comparable to marketed anti-TB agents. (C) 2015 Elsevier Masson SAS. All rights reserved.