3-[4-(4-benzoylamino-5-hydrazinocarbonylmethylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)-thiazol-2-ylamino]-propionic acid | 933985-36-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-[4-(4-benzoylamino-5-hydrazinocarbonylmethylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)-thiazol-2-ylamino]-propionic acid
• 英文别名: 3-[[4-[[4-benzamido-5-(2-hydrazinyl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]amino]propanoic acid
• CAS: 933985-36-5
• 化学式: C₁₈H₂₀N₈O₄S₂
• 分子量: 476.54
• InChiKey: HZGBRSQWJMBAES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  231
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  3-[4-(4-benzoylamino-5-hydrazinocarbonylmethylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)-thiazol-2-ylamino]-propionic acid 、 苯甲醛 在 aluminum oxide 作用下， 反应 0.02h， 以78%的产率得到3-[[4-[[4-benzamido-5-[2-[(2E)-2-benzylidenehydrazino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiazol-2-yl]amino]propanoic acid
  参考文献：
  名称：

  Clubbed triazoles: A novel approach to antitubercular drugs

  摘要：

  In last few decades, though significant progress has been made in the treatment and control strategies of tubercular infections by introducing new diagnostic and monitoring tools and combination therapy, it still continues to be a severe problem. Thus with the aim of developing novel molecules with improved potency for treating Mycobacterium tuberculosis H37Rv strain infections and with decreased probability of developing drug resistance, herein we report the synthesis of thiazolyl triazole derivatives, starting from ethyl acetoacetate, by microwave organic reaction enhancement method (MORE) and results of investigations of their antimycobacterial and antimicrobial activities. Many compounds have shown promising activity while others were inactive. (c) 2006 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.12.001
• 作为产物：
  描述：

  3-(4-((4-benzamido-5-(2-methoxy-2-oxoethylthio)-4H-1,2,4-triazol-3-yl)methyl)thiazol-2-ylamino)propanoic acid 在 aluminum oxide 、 一水合肼 作用下， 以84%的产率得到3-[4-(4-benzoylamino-5-hydrazinocarbonylmethylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)-thiazol-2-ylamino]-propionic acid
  参考文献：
  名称：

  Clubbed triazoles: A novel approach to antitubercular drugs

  摘要：

  In last few decades, though significant progress has been made in the treatment and control strategies of tubercular infections by introducing new diagnostic and monitoring tools and combination therapy, it still continues to be a severe problem. Thus with the aim of developing novel molecules with improved potency for treating Mycobacterium tuberculosis H37Rv strain infections and with decreased probability of developing drug resistance, herein we report the synthesis of thiazolyl triazole derivatives, starting from ethyl acetoacetate, by microwave organic reaction enhancement method (MORE) and results of investigations of their antimycobacterial and antimicrobial activities. Many compounds have shown promising activity while others were inactive. (c) 2006 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.12.001

文献信息

• Clubbed triazoles: A novel approach to antitubercular drugs
  作者：Mahendra Shiradkar、Gorentla Venkata Suresh Kumar、Varaprasad Dasari、Suresh Tatikonda、Kalyan Chakravarthy Akula、Rachit Shah

  DOI：10.1016/j.ejmech.2006.12.001

  日期：2007.6

  In last few decades, though significant progress has been made in the treatment and control strategies of tubercular infections by introducing new diagnostic and monitoring tools and combination therapy, it still continues to be a severe problem. Thus with the aim of developing novel molecules with improved potency for treating Mycobacterium tuberculosis H37Rv strain infections and with decreased probability of developing drug resistance, herein we report the synthesis of thiazolyl triazole derivatives, starting from ethyl acetoacetate, by microwave organic reaction enhancement method (MORE) and results of investigations of their antimycobacterial and antimicrobial activities. Many compounds have shown promising activity while others were inactive. (c) 2006 Elsevier Masson SAS. All rights reserved.