2-(1H-Benzoimidazol-2-ylsulfanyl)-N-benzothiazol-2-yl-acetamide | 79420-24-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(1H-Benzoimidazol-2-ylsulfanyl)-N-benzothiazol-2-yl-acetamide
• 英文别名: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-benzothiazol-2-yl)acetamide
• CAS: 79420-24-9
• 化学式: C₁₆H₁₂N₄OS₂
• mdl: MFCD01304009
• 分子量: 340.429
• InChiKey: DETOLMLOYLGMIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1H-苯并咪唑-2-硫醇 、 N-(1,3-苯并噻唑-2-基)-2-氯乙酰胺 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以70%的产率得到2-(1H-Benzoimidazol-2-ylsulfanyl)-N-benzothiazol-2-yl-acetamide
  参考文献：
  名称：

  Mahmoud; El-Sherief; Abdel-Rahman, European Journal of Medicinal Chemistry, 1981, vol. 16, # 4, p. 383 - 384

  摘要：

  DOI：

文献信息

• Mahmoud; El-Sherief; Abdel-Rahman, European Journal of Medicinal Chemistry, 1981, vol. 16, # 4, p. 383 - 384
  作者：Mahmoud、El-Sherief、Abdel-Rahman

  DOI：——

  日期：——
• Phenylimidazole derivatives as specific inhibitors of bacterial enoyl-acyl carrier protein reductase FabK
  作者：Tomohiro Ozawa、Hideo Kitagawa、Yasuo Yamamoto、Sho Takahata、Maiko Iida、Yumi Osaki、Keiko Yamada

  DOI：10.1016/j.bmc.2007.08.050

  日期：2007.12

  Bacterial enoyl-acyl carrier protein (ACP) reductases (FabI and FabK) catalyze the final step in each cycle of bacterial fatty acid biosynthesis and are attractive targets for the development of new antibacterial agents. Here, we report the development of novel FabK inhibitors with antibacterial activity against Streptococcus pneumoniae. Based on structure-activity relationship (SAR) studies of our screening hits, we have developed novel phenylimidazole derivatives as potent FabK inhibitors. (C) 2007 Elsevier Ltd. All rights reserved.
• MAHMOUD A. M.; EL-SHERIEF H. A.; ABDEL-RAHMAN A. E., EUR. J. MED. CHEM.-CHIM. THER., 1981, 16, NO 4, 383-384
  作者：MAHMOUD A. M.、 EL-SHERIEF H. A.、 ABDEL-RAHMAN A. E.

  DOI：——

  日期：——
• Phenylimidazole derivatives as new inhibitors of bacterial enoyl-ACP reductase FabK
  作者：Hideo Kitagawa、Tomohiro Ozawa、Sho Takahata、Maiko Iida

  DOI：10.1016/j.bmcl.2007.06.040

  日期：2007.9

  Novel FabK inhibitors with antibacterial activity against Streptococcus pneuinoniae were synthesized and evaluated. Through SAR studies of our initial hit compound 2-(1H-benz[d]imidazol-2-ylthio)-N-(6-methoxycarbonylbenzo[d]thiazo1-2-yl)acetamide, a series of novel phenylimidazole derivatives were discovered as potent FabK inhibitors. (c) 2007 Elsevier Ltd. All rights reserved.