2-<2-Piperidino)-5-thiadiazolyl>-1-methyl-5-nitroimidazol | 37125-28-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-<2-Piperidino)-5-thiadiazolyl>-1-methyl-5-nitroimidazol
• 英文别名: 1-[5-(1-methyl-5-nitro-1H-imidazol-2-yl)-[1,3,4]thiadiazol-2-yl]-piperidine；2-(1-Methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole
• CAS: 37125-28-3
• 化学式: C₁₁H₁₄N₆O₂S
• 分子量: 294.337
• InChiKey: YJMRPIOCOQBEBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  121
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  哌啶 、 2-chloro-5-(1-methyl-4-nitro-1H-2-imidazolyl)-1,3,4-thiadiazole 以 乙醇 为溶剂， 反应 0.5h， 以81%的产率得到2-<2-Piperidino)-5-thiadiazolyl>-1-methyl-5-nitroimidazol
  参考文献：
  名称：

  Synthesis and in vitro leishmanicidal activity of 2-(1-methyl-5-nitro-1H-imidazol-2-yl)-5-substituted-1,3,4-thiadiazole derivatives

  摘要：

  A series of 2-(1-methyl-5-nitroimidazol-2-yl)-5-(1-piperazinyl, 1-piperidinyl and 1-morpholinyl)-1,3,4-thiadiazoles (3a-g) were synthesized and evaluated for in vitro leishmanicidal activity against Leishmania major promastigotes. The leishmanicidal data revealed that compounds 3a-g had strong and much better leishmanicidal activity than the reference drug pentostam. Compound 3c (piperazine analog) was the most active compound (IC(50) = 0. 19 mu M). (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.07.002

文献信息

• US3991200A
  申请人：——

  公开号：US3991200A

  公开（公告）日：1976-11-09
• US4065567A
  申请人：——

  公开号：US4065567A

  公开（公告）日：1977-12-27
• Synthesis and in vitro leishmanicidal activity of 2-(1-methyl-5-nitro-1H-imidazol-2-yl)-5-substituted-1,3,4-thiadiazole derivatives
  作者：Alireza Foroumadi、Saeed Emami、Shirin Pournourmohammadi、Arsalan Kharazmi、Abbas Shafiee

  DOI：10.1016/j.ejmech.2005.07.002

  日期：2005.12

  A series of 2-(1-methyl-5-nitroimidazol-2-yl)-5-(1-piperazinyl, 1-piperidinyl and 1-morpholinyl)-1,3,4-thiadiazoles (3a-g) were synthesized and evaluated for in vitro leishmanicidal activity against Leishmania major promastigotes. The leishmanicidal data revealed that compounds 3a-g had strong and much better leishmanicidal activity than the reference drug pentostam. Compound 3c (piperazine analog) was the most active compound (IC(50) = 0. 19 mu M). (c) 2005 Elsevier SAS. All rights reserved.