5-[1-(4-amino-butyl)-1H-imidazol-4-yl]-pyrimidin-2-ylamine | 937809-36-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-[1-(4-amino-butyl)-1H-imidazol-4-yl]-pyrimidin-2-ylamine
• 英文别名: 5-[1-(4-Aminobutyl)imidazol-4-yl]pyrimidin-2-amine
• CAS: 937809-36-4
• 化学式: C₁₁H₁₆N₆
• 分子量: 232.288
• InChiKey: UGHQMYNPEFQOOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  95.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-[1-(4-amino-butyl)-1H-imidazol-4-yl]-pyrimidin-2-ylamine 、 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and antibacterial activity of a novel series of acylides active against community acquired respiratory pathogens

  摘要：

  A novel series of acylides 4 were designed to overcome antibacterial resistance and evaluated for in vitro and in vivo activity. This series of acylides was designed from clarithromycin by changing the substitution on the desosamine nitrogen, followed by conversion to 3-O-acyl and 11,12-carbamate. These compounds showed significantly potent antibacterial activity against not only Gram-positive pathogens, including macrolide-lincosamide-streptogramin B (MLSB)-resistant and efflux-resistant strains, but also Gram-negative pathogens such as Haemophilus influenzae. These acylides also showed better activity against telithromycin resistant Streptococcus pneumoniae strains. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.101
• 作为产物：
  描述：

  2-(4-[4-(2-amino-pyrimidin-5-yl)-imidazol-1-yl]-butyl)-isoindole-1,3-dione 在 肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 5-[1-(4-amino-butyl)-1H-imidazol-4-yl]-pyrimidin-2-ylamine
  参考文献：
  名称：

  MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS

  摘要：

  本发明提供了大环内酯衍生物，可用作抗菌剂。本文描述的化合物可用于治疗或预防由革兰氏阳性、革兰氏阴性或厌氧细菌引起或促成的疾病，更具体地针对例如葡萄球菌、链球菌、肠球菌、衣原体属、支原体属、霉原体、李斯特菌属、分枝杆菌、幽门螺杆菌、梭菌、拟杆菌、丙酸杆菌、芽孢杆菌、肠杆菌科或其任意组合。还提供了制备本文描述的化合物、其药物组合物和治疗细菌感染的方法。

  公开号：

  US20090130225A1

文献信息

• WO2007/60618
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS<br/>[FR] DÉRIVÉS MACROLIDES EN TANT QU'AGENTS ANTIBACTÉRIENS
  申请人：RANBAXY LAB LTD

  公开号：WO2007060618A2

  公开（公告）日：2007-05-31

  [EN] The present invention provides macrolide derivatives, which can be used as antibacterial agents. Compounds described herein can be used for treating or preventing conditions caused by or contributed to by gram-positive, gram-negative or anaerobic bacteria, more particularly against, for example, Staphylococci, Streptococci, Enterococci, Haemophilus, Moraxalla spp., Chlamydia spp., Mycoplasm, Legionella spp., Mycobacterium, Helicobacter, Clostridium, Bacteroides, Corynebacterium, Propionibeacterium, Bacillus, Enterobactericeae or any combination thereof. Also provided are processes for preparing compounds described herein, pharmaceutical compositions thereof, and methods of treating bacterial infections.
  [FR] La présente invention a pour objet des dérivés macrolides qui peuvent être utilisés comme agents antibactériens. Les composés décrits ici peuvent être utilisés pour traiter ou prévenir des conditions causées ou contribuées par des bactéries gram positives, gram négatives ou anaérobies, plus particulièrement contre, par exemple, des Staphylocoques, Streptocoques, Entérocoques, Hémophilus, Moraxalla spp., Chlamydia spp., Mycoplasme, Legionella spp., Mycobacterium, Helicobacter, Clostridium, Bacteroïdes, Corynébactérium, Propionibacterium, Bacillus, Enterobacteriaceae ou une quelconque de leur combinaison. L'invention concerne aussi des procédures pour préparer les composés décrits ici, des compositions pharmaceutiques de ceux-ci et des méthodes pour traiter des infections bactériennes.
• Synthesis and antibacterial activity of a novel series of acylides active against community acquired respiratory pathogens
  作者：Rajesh Kumar、Sujata Rathy、Atul K. Hajare、Yogesh B. Surase、Jyoti Dullu、Jitendra S. Jadhav、R. Venkataramanan、Anjan Chakrabarti、Manisha Pandya、Pragya Bhateja、G. Ramkumar、Biswajit Das

  DOI：10.1016/j.bmcl.2011.10.101

  日期：2012.1

  A novel series of acylides 4 were designed to overcome antibacterial resistance and evaluated for in vitro and in vivo activity. This series of acylides was designed from clarithromycin by changing the substitution on the desosamine nitrogen, followed by conversion to 3-O-acyl and 11,12-carbamate. These compounds showed significantly potent antibacterial activity against not only Gram-positive pathogens, including macrolide-lincosamide-streptogramin B (MLSB)-resistant and efflux-resistant strains, but also Gram-negative pathogens such as Haemophilus influenzae. These acylides also showed better activity against telithromycin resistant Streptococcus pneumoniae strains. (C) 2011 Elsevier Ltd. All rights reserved.
• MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS
  申请人：Chakrabarti Anjan

  公开号：US20090130225A1

  公开（公告）日：2009-05-21

  The present invention provides macrolide derivatives, which can be used as antibacterial agents. Compounds described herein can be used for treating or preventing conditions caused by or contributed to by gram-positive, gram-negative or anaerobic bacteria, more particularly against, for example, Staphylococci, Streptococci, Enterococci, Haemophilus, Moraxalla spp., Chlamydia spp., Mycoplasm, Legionella spp., Mycobacterium, Helicobacter, Clostridium, Bacteroides, Corynebacterium, Propionibeacterium, Bacillus , Enterobactericeae or any combination thereof. Also provided are processes for preparing compounds described herein, pharmaceutical compositions thereof, and methods of treating bacterial infections.

  本发明提供了大环内酯衍生物，可用作抗菌剂。本文描述的化合物可用于治疗或预防由革兰氏阳性、革兰氏阴性或厌氧细菌引起或促成的疾病，更具体地针对例如葡萄球菌、链球菌、肠球菌、衣原体属、支原体属、霉原体、李斯特菌属、分枝杆菌、幽门螺杆菌、梭菌、拟杆菌、丙酸杆菌、芽孢杆菌、肠杆菌科或其任意组合。还提供了制备本文描述的化合物、其药物组合物和治疗细菌感染的方法。