3-Methyl-6-{1-[4-(2-methylpropyl)phenyl]ethyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 929816-44-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-Methyl-6-{1-[4-(2-methylpropyl)phenyl]ethyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• 英文别名: 3-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• CAS: 929816-44-4
• 化学式: C₁₆H₂₀N₄S
• 分子量: 300.428
• InChiKey: UZRATLXUWSGNPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  71.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  布洛芬 、 4-氨基-5-甲基-4H-3-巯基-1,2,4-三唑 在 三氯氧磷 作用下， 以64%的产率得到3-Methyl-6-{1-[4-(2-methylpropyl)phenyl]ethyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
  参考文献：
  名称：

  Microwave mediated synthesis of non-carboxylic analogues of ibuprofen with improved pharmacological activity

  摘要：

  A series of 1,2,4-triazolo[3,4-b]-thiadiazoles were synthesized following microwave irradiation method and also by conventional method. Newly synthesized compounds were evaluated for their anti-inflammatory and analgesic activities. (c) 2010 Balakrishna Kalluraya. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.12.013

文献信息

• Microwave mediated synthesis of non-carboxylic analogues of ibuprofen with improved pharmacological activity
  作者：K.V. Sujith、Balakrishna Kalluraya、Adithya Adhikari、J. Ravikumar

  DOI：10.1016/j.cclet.2010.12.013

  日期：2011.5

  A series of 1,2,4-triazolo[3,4-b]-thiadiazoles were synthesized following microwave irradiation method and also by conventional method. Newly synthesized compounds were evaluated for their anti-inflammatory and analgesic activities. (c) 2010 Balakrishna Kalluraya. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.