[(E)-2-chloro-2-nitroethenyl]benzene | 58502-70-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(E)-2-chloro-2-nitroethenyl]benzene
• CAS: 58502-70-8
• 化学式: C₈H₆ClNO₂
• 分子量: 183.594
• InChiKey: BQOIOXRQQPRNCO-VURMDHGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [(E)-2-chloro-2-nitroethenyl]benzene 在 N-碘代丁二酰亚胺 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙二醇二甲醚 、 乙醇 、 乙腈 为溶剂， 生成 6-iodo-5-phenyl-3H-furo[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  Discovery of 4-amino-5,6-biaryl-furo[2,3-d]pyrimidines as inhibitors of Lck: Development of an expedient and divergent synthetic route and preliminary SAR

  摘要：

  4-Amino-5,6-biaryl-furo[2,3-d]pyrimidines were identified as potent non-selective inhibitors of Lck. A novel, divergent, and practical synthetic route was developed to access derivatives from bifunctional intermediates. Lead optimization was guided by X-ray crystallographic data, and preliminary SAR led to the identification of compounds with improved cellular potency and selectivity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.057
• 作为产物：
  描述：

  溴代硝基甲烷 、 苯甲醛 在 potassium fluoride 作用下， 以 xylene 为溶剂， 以80%的产率得到[(E)-2-chloro-2-nitroethenyl]benzene
  参考文献：
  名称：

  Discovery of 4-amino-5,6-biaryl-furo[2,3-d]pyrimidines as inhibitors of Lck: Development of an expedient and divergent synthetic route and preliminary SAR

  摘要：

  4-Amino-5,6-biaryl-furo[2,3-d]pyrimidines were identified as potent non-selective inhibitors of Lck. A novel, divergent, and practical synthetic route was developed to access derivatives from bifunctional intermediates. Lead optimization was guided by X-ray crystallographic data, and preliminary SAR led to the identification of compounds with improved cellular potency and selectivity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.057

文献信息

• Novel derivatives useful as antiviral agents
  申请人：Institut Pasteur

  公开号：EP2420495A1

  公开（公告）日：2012-02-22

  The invention relates to compounds of formula (I) for use in the prevention and/or treatment of viral infections: Wherein X, Y, Z, T, R1a and R1b are as defined in claim 1.

  本发明涉及式（I）的化合物，用于预防和/或治疗病毒感染：其中X、Y、Z、T、R1a和R1b如权利要求1所定义。
• Compounds for the treatment of mitochondrial diseases
  申请人：Centre National de la Recherche Scientifique

  公开号：EP2243476A1

  公开（公告）日：2010-10-27

  The present invention relates to the use of compounds of general formula (I): for the preparation of medicaments that act against mitochondrial pathologies involving a deficiency in ATP production via the oxidative phosphorylation pathway, such as mitochondrial diseases.

  本发明涉及通式（I）化合物的用途： 用于制备防治线粒体病变的药物，这些病变涉及通过氧化磷酸化途径产生的 ATP 不足，例如线粒体疾病。
• COMPOUNDS FOR THE TREATMENT OF MITOCHONDRIAL DISEASES
  申请人：Blondel Marc

  公开号：US20120329834A1

  公开（公告）日：2012-12-27

  The present invention relates to the use of compounds of general formula (I): (I) for the preparation of medicaments that act against mitochondrial pathologies involving a deficiency in ATP production via the oxidative phosphorylation pathway, such as mitochondrial diseases.
• Novel Derivatives Useful as Antiviral Agents
  申请人：Vidalain Pierre-Olivier

  公开号：US20130210886A1

  公开（公告）日：2013-08-15

  The invention relates to compounds of formula (I) for use in the prevention and/or treatment of viral infections: Wherein X, Y, Z, T, R 1a and R 1b are as defined in claim 1 .
• US9315482B2
  申请人：——

  公开号：US9315482B2

  公开（公告）日：2016-04-19