4-(Bromomethylidene)heptane | 1391713-26-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: 4-(Bromomethylidene)heptane
• CAS: 1391713-26-0
• 化学式: C₈H₁₅Br
• 分子量: 191.111
• InChiKey: DNBYLKYGPMQNGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  4-(Bromomethylidene)heptane 在 四(三苯基膦)钯 、 barium hydroxide octahydrate 、 三乙胺 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 9.0h， 生成 methyl 4-amino-3-(2-n-propyl-1-pentene)benzoate
  参考文献：
  名称：

  Pyrrolidinobenzoic acid inhibitors of influenza virus neuraminidase: The hydrophobic side chain influences type A subtype selectivity

  摘要：

  Neuraminidase (NA) plays a critical role in the life cycle of influenza virus and is a target for new therapeutic agents. A series of influenza neuraminidase inhibitors with the pyrrolidinobenzoic acid scaffold containing lipophilic side chains at the C3 position have been synthesized and evaluated for influenza neuraminidase inhibitory activity. The size and geometry of the C3 side chains have been modified in order to investigate structure-activity relationships. The results indicated that size and geometry of the C3-side chain are important for selectivity of inhibition against N1 versus N2 NA, important type A influenza variants that infect man, including the highly lethal avian influenza. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.05.001

文献信息

• 抗流感病毒化合物及其制备方法
  申请人：重庆医科大学

  公开号：CN109020825B

  公开（公告）日：2021-03-19

  本发明提供一种抗流感病毒化合物，该化合物为苯甲酸衍生物，与现在已上市的活性化合物相比较，本发明的活性化合物没有手性中心，合成更加简单；同时原料简单易得，市场供应多，价格低廉。本发明化合物经体外神经氨酸酶特异荧光底物2’‑4‑甲基伞形酮‑a‑N‑乙酰神经氨酸实验证明，在具有较强抗H3N2流感活性的同时，还具有较强的抗H1N1流感活性，甚至对B型流感也有较好的治疗效果，有望开发成为抗流感病毒药物。本发明制备方法简单，适合工业化生产。
• Pyrrolidinobenzoic acid inhibitors of influenza virus neuraminidase: The hydrophobic side chain influences type A subtype selectivity
  作者：Yanwu Li、Arundutt Silamkoti、Gundurao Kolavi、Liyuan Mou、Shelly Gulati、Gillian M. Air、Wayne J. Brouillette

  DOI：10.1016/j.bmc.2012.05.001

  日期：2012.7

  Neuraminidase (NA) plays a critical role in the life cycle of influenza virus and is a target for new therapeutic agents. A series of influenza neuraminidase inhibitors with the pyrrolidinobenzoic acid scaffold containing lipophilic side chains at the C3 position have been synthesized and evaluated for influenza neuraminidase inhibitory activity. The size and geometry of the C3 side chains have been modified in order to investigate structure-activity relationships. The results indicated that size and geometry of the C3-side chain are important for selectivity of inhibition against N1 versus N2 NA, important type A influenza variants that infect man, including the highly lethal avian influenza. (C) 2012 Elsevier Ltd. All rights reserved.