N-(5-溴-1,4-二氢-4-氧代-6-苯基-2-嘧啶)-乙酰胺 | 74856-68-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: N-(5-溴-1,4-二氢-4-氧代-6-苯基-2-嘧啶)-乙酰胺
• 英文名称: 2-(acetylamino)-5-bromo-6-phenyl-4(3H)-pyrimidinone
• 英文别名: N-(5-Bromo-1,4-dihydro-4-oxo-6-phenyl-2-pyrimidinyl)-acetamide；N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
• CAS: 74856-68-1
• 化学式: C₁₂H₁₀BrN₃O₂
• 分子量: 308.134
• InChiKey: YVMWEOWUBQRIOI-UHFFFAOYSA-N

物化性质

• 密度：
  1.62±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  70.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  bropirimine 、 乙酸酐 反应 2.0h， 以83%的产率得到N-(5-溴-1,4-二氢-4-氧代-6-苯基-2-嘧啶)-乙酰胺
  参考文献：
  名称：

  Pyrimidinones. 3. N-Substituted 6-phenylpyrimidinones and pyrimidinediones with diuretic/hypotensive and antiinflammatory activity

  摘要：

  In an extensive analysis of the antiviral and interferon-induction structure-activity relationship of 6-arylpyrimidinones we found that modifications at positions 1-4 of the pyrimidine ring resulted in a loss of activity. However, we uncovered interesting hypotensive and antiinflammatory activity with a series of N-substituted analogues, the results of which we report herein.

  DOI：

  10.1021/jm00158a030

文献信息

• ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS
  申请人：Averett Devron R.

  公开号：US20120028999A1

  公开（公告）日：2012-02-02

  This invention relates to methods for treating or preventing hepatitis C virus infections in mammals using Toll-Like Receptor (TLR)7 ligands and prodrugs thereof. More particularly, this invention relates to methods of orally administering a therapeutically effective amount of one or more prodrugs of TLR7 ligands for the treatment or prevention of hepatitis C viral infection. Oral administration of these TLR7 immunomodulating ligands and prodrugs thereof to a mammal provides therapeutically effective amounts and reduced undesirable side effects.

  本发明涉及使用Toll样受体（TLR）7配体及其前药治疗或预防哺乳动物肝炎C病毒感染的方法。更具体地说，本发明涉及通过口服给哺乳动物治疗或预防肝炎C病毒感染的一个或多个TLR7配体前药的治疗方法。将这些TLR7免疫调节配体及其前药口服给哺乳动物可提供治疗有效量并减少不良副作用。
• SKULNICK H. I.; LUDENS J. H.; WENDLING M. G.; GLENN E. M.; ROHLOFF N. A.;+, J. MED. CHEM., 29,(1986) N 8, 1499-1504
  作者：SKULNICK H. I.、 LUDENS J. H.、 WENDLING M. G.、 GLENN E. M.、 ROHLOFF N. A.、+

  DOI：——

  日期：——
• US8211863B2
  申请人：——

  公开号：US8211863B2

  公开（公告）日：2012-07-03
• Pyrimidinones. 3. N-Substituted 6-phenylpyrimidinones and pyrimidinediones with diuretic/hypotensive and antiinflammatory activity
  作者：Harvey I. Skulnick、James H. Ludens、Michael G. Wendling、E. Myles Glenn、Norman A. Rohloff、Robert J. Smith、Wendell Wierenga

  DOI：10.1021/jm00158a030

  日期：1986.8

  In an extensive analysis of the antiviral and interferon-induction structure-activity relationship of 6-arylpyrimidinones we found that modifications at positions 1-4 of the pyrimidine ring resulted in a loss of activity. However, we uncovered interesting hypotensive and antiinflammatory activity with a series of N-substituted analogues, the results of which we report herein.