(E)-1-isocyano-2-(2-phenylbut-1-en-1-yl)benzene

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-1-isocyano-2-(2-phenylbut-1-en-1-yl)benzene
• 英文别名: 1-isocyano-2-[(E)-2-phenylbut-1-enyl]benzene
• 化学式: C₁₇H₁₅N
• 分子量: 233.313
• InChiKey: HZTURFGXYIKHFM-BUHFOSPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  4.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  diethyl <(2-aminophenyl)methyl>phosphonate 在 正丁基锂 、 苄基三乙基氯化铵 、 potassium hydroxide 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 (E)-1-isocyano-2-(2-phenylbut-1-en-1-yl)benzene
  参考文献：
  名称：

  Discovery and characterization of aryl isonitriles as a new class of compounds versus methicillin- and vancomycin-resistant Staphylococcus aureus

  摘要：

  Methicillin- and vancomycin-resistant Staphylococcus aureus (MRSA and VRSA) have emerged as a global health concern. A new class of compounds featuring an aryl isonitrile moiety has been discovered that exhibits potent inhibitory activity against several clinically-relevant MRSA and VRSA isolates. Structure -activity relationship studies have been conducted to identify the aryl isonitrile group as the key functional group responsible for the observed antibacterial activity. The most potent antibacterial aryl isonitrile analogs (MIC 2 mu M) did not show any toxicity against mammalian cells up to a concentration of 64 mu M. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.06.031

文献信息

• ARYL ISONITRILES AS A NEW CLASS OF ANTIMICROBIAL COMPOUNDS
  申请人：Purdue Research Foundation

  公开号：US20160287550A1

  公开（公告）日：2016-10-06

  The present invention provides aryl isonitrile compounds that have antibacterial properties. More specifically, the aryl isonitrile compounds of the present invention are potent inhibitors of drug resistant strains of Staphylococcus aureus.

  本发明提供具有抗菌特性的芳基异氰酸酯化合物。更具体地说，本发明的芳基异氰酸酯化合物是耐药金黄色葡萄球菌的有效抑制剂。
• Discovery and characterization of aryl isonitriles as a new class of compounds versus methicillin- and vancomycin-resistant Staphylococcus aureus
  作者：Dexter C. Davis、Haroon Mohammad、Kwaku Kyei-Baffour、Waleed Younis、Cassidy Noel Creemer、Mohamed N. Seleem、Mingji Dai

  DOI：10.1016/j.ejmech.2015.06.031

  日期：2015.8

  Methicillin- and vancomycin-resistant Staphylococcus aureus (MRSA and VRSA) have emerged as a global health concern. A new class of compounds featuring an aryl isonitrile moiety has been discovered that exhibits potent inhibitory activity against several clinically-relevant MRSA and VRSA isolates. Structure -activity relationship studies have been conducted to identify the aryl isonitrile group as the key functional group responsible for the observed antibacterial activity. The most potent antibacterial aryl isonitrile analogs (MIC 2 mu M) did not show any toxicity against mammalian cells up to a concentration of 64 mu M. (C) 2015 Elsevier Masson SAS. All rights reserved.