2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methylphenyl)-2,3-dihydro-4(1H)-quinazolinone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methylphenyl)-2,3-dihydro-4(1H)-quinazolinone
• 英文别名: 2-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
• 化学式: C28H27N5O4
• 分子量: 497.5
• InChiKey: YFUWAWWRUUKVGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• MicroRNA Modulators and Method for Identifying and Using the Same
  申请人：Huang Qihong

  公开号：US20130023498A1

  公开（公告）日：2013-01-24

  The present invention is a method for identifying agents which modulate microRNA activity. The invention involves contacting a cell harboring a microRNA and a microRNA binding sequence, which is operably linked to a nucleic acid molecule encoding a reporter protein, with a test agent and determining whether the test agent increases or decreases the expression of the reporter protein thereby identifying a microRNA modulator. Antagonists identified by this screening assay are provided, as are methods for using the same to inhibit microRNA activity and prevent or treat disease.