1,4-di(3-cyanophenyl)butanedione | 186391-30-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,4-di(3-cyanophenyl)butanedione
• 英文别名: 1,4-Bis(3-cyanophenyl)butan-1,4-dione；3-[4-(3-Cyanophenyl)-4-oxobutanoyl]benzonitrile
• CAS: 186391-30-0
• 化学式: C₁₈H₁₂N₂O₂
• 分子量: 288.305
• InChiKey: IYESTNROCRLCOO-UHFFFAOYSA-N

物化性质

• 沸点：
  533.1±45.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  81.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,4-di(3-cyanophenyl)butanedione 生成 2,5-bis(3-cyanophenyl)furan
  参考文献：
  名称：

  Inhibition of the HIV-1 rev–RRE complex formation by unfused aromatic cations

  摘要：

  RNA viruses cause a wide range of human diseases. Development of new agents to target such viruses is an active area of research. Towards this goal, a series of diphenylfuran cations as potential inhibitors of the Rev-RRE complex have been designed and synthesized. Analysis of the interaction of the diphenylfurans with RRE and TAR RNA model systems by gel shift assays indicates that they exhibit both sequence and structure-dependent binding modes. Our results show a strong interaction between the diphenylfuran ring system and RRE bases, while the TAR interactions are much weaker with the compounds that are the best inhibitors of Rev-RRE. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00344-8
• 作为产物：
  描述：

  3-(2-溴乙酰基)苯甲腈 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 1,4-di(3-cyanophenyl)butanedione
  参考文献：
  名称：

  Small molecule inhibition of RNA/ligand binding

  摘要：

  揭示了一种抑制配体与RNA结合的方法，该抑制是由结合到RNA的小有机分子介导的，从而抑制配体结合。一种首选的小有机分子类别是由2,5-双[3-(2-N,N-二甲基氨基丙基氨基)苯基]呋喃化合物为例。

  公开号：

  US05668165A1

文献信息

• US5668165A
  申请人：——

  公开号：US5668165A

  公开（公告）日：1997-09-16
• US6020488A
  申请人：——

  公开号：US6020488A

  公开（公告）日：2000-02-01
• Inhibition of the HIV-1 rev–RRE complex formation by unfused aromatic cations
  作者：G Xiao

  DOI：10.1016/s0968-0896(00)00344-8

  日期：2001.5

  RNA viruses cause a wide range of human diseases. Development of new agents to target such viruses is an active area of research. Towards this goal, a series of diphenylfuran cations as potential inhibitors of the Rev-RRE complex have been designed and synthesized. Analysis of the interaction of the diphenylfurans with RRE and TAR RNA model systems by gel shift assays indicates that they exhibit both sequence and structure-dependent binding modes. Our results show a strong interaction between the diphenylfuran ring system and RRE bases, while the TAR interactions are much weaker with the compounds that are the best inhibitors of Rev-RRE. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Small molecule inhibition of RNA/ligand binding
  申请人：Scriptgen Pharmaceuticals, Inc.

  公开号：US05668165A1

  公开（公告）日：1997-09-16

  Disclosed is a method for the inhibition of binding of a ligand to an RNA, the inhibition being mediated by a small organic molecule that binds to the RNA, thereby inhibiting ligand binding. A preferred class of small organic molecules are compounds exemplified by 2,5-Bis[3-(2-N,N-dimethylaminopropylamidino)phenyl]furan.

  揭示了一种抑制配体与RNA结合的方法，该抑制是由结合到RNA的小有机分子介导的，从而抑制配体结合。一种首选的小有机分子类别是由2,5-双[3-(2-N,N-二甲基氨基丙基氨基)苯基]呋喃化合物为例。