4-methyl-5-(phenyl)-2H-1,3-oxazine-2,6(3H)-dione | 106013-88-1

• 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: 4-methyl-5-(phenyl)-2H-1,3-oxazine-2,6(3H)-dione
• 英文别名: 4-methyl-5-phenyl-2H-1,3-oxazine-2,6(3H)-dione；oxazine-2,6-dione；4-methyl-5-phenyl-3H-[1,3]oxazine-2,6-dione；4-methyl-5-phenyl-3H-1,3-oxazine-2,6-dione
• CAS: 106013-88-1
• 化学式: C₁₁H₉NO₃
• 分子量: 203.197
• InChiKey: BIYJECFCAQGGQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methyl-5-(phenyl)-2H-1,3-oxazine-2,6(3H)-dione 、 1-溴代异戊烷 在 sodium hydride 作用下， 以 异丁酰胺 为溶剂， 以73%的产率得到4-methyl-3-(3-methylbutyl)-5-phenyl-1,3-oxazine-2,6-dione
  参考文献：
  名称：

  Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes of benzothiadiazine and 1,4-benzothiazine HCV NS5b polymerase inhibitors

  摘要：

  The importance of internal hydrogen bonding in a series of benzothiadiazine and 1,4-benzothiazine NS5b inhibitors has been explored. Computational analysis has been used to compare the protonated vs. anionic forms of each series and we demonstrate that activity against HCV NS5b polymerase is best explained using the anionic forms. The syntheses and structure-activity relationships for a variety of new analogs are also discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.119
• 作为产物：
  描述：

  2-(Dimethylamino)-4-methyl-5-phenyl-6H-1,3-oxazin-6-one 在 硫酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以60%的产率得到4-methyl-5-(phenyl)-2H-1,3-oxazine-2,6(3H)-dione
  参考文献：
  名称：

  与3，4-二取代的异恶唑啉-5-酮的Vilsmeier-Haack反应。1,3-oxazin-6-ones和1,3-oxazine-2,6-diones的新合成。

  摘要：

  提出了在异恶唑啉-5-酮上通过Vilsmeier-Haack型反应合成2-二甲基氨基-3,4-二取代-6 -1,3-恶嗪-6-酮的新方法。

  DOI：

  10.1016/s0040-4039(00)84058-7

文献信息

• Anti-infective agents
  申请人：——

  公开号：US20040087577A1

  公开（公告）日：2004-05-06

  Compounds having the formula 1 are hepatitis C (HCV) polymerase inhibitors. Also disclosed are a composition and method for inhibiting hepatitis C (HCV) polymerase, processes for making the compounds, and synthetic intermediates employed in the processes.

  具有公式1的化合物是丙型肝炎（HCV）聚合酶抑制剂。还公开了一种用于抑制丙型肝炎（HCV）聚合酶的组成和方法，用于制造这些化合物的过程，以及在这些过程中使用的合成中间体。
• Heterocyclic antiviral compounds
  申请人：Blake F. James

  公开号：US20060040927A1

  公开（公告）日：2006-02-23

  Compounds having the formula I wherein A, m and R 1 are herein defined are Hepatitis C virus polymerase inhibitors. Also disclosed are compositions and methods for treating diseases mediated by HCV and for inhibiting hepatitis replication. Also disclosed are processes for making the compounds and synthetic intermediates used in the process

  具有公式I的化合物，其中A、m和R1如本文所定义，是丙型肝炎病毒聚合酶抑制剂。还公开了用于治疗HCV介导的疾病和抑制肝炎复制的组合物和方法。还公开了制备这些化合物和用于该过程的合成中间体的方法。
• [EN] PROLYL HYDROXYLASE INHIBITORS<br/>[FR] INHIBITEURS DE PROLYL HYDROXYLASE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2010025087A1

  公开（公告）日：2010-03-04

  The invention described herein relates to certain pyrimidinedione N-substituted glycine derivatives of formula (I) which are antagonists of HIF prolyl hydroxylases and are useful for treating diseases benefiting from the inhibition of this enzyme, anemia being one example.

  本发明涉及某些式（I）的嘧啶二酮N-取代甘氨酸衍生物，这些衍生物是HIF脯氨酸羟化酶的拮抗剂，可用于治疗受益于抑制该酶的疾病，贫血是其中的一个例子。
• Prolyl Hydroxylase Inhibitors
  申请人：Tedesco Rosanna

  公开号：US20110144167A1

  公开（公告）日：2011-06-16

  The invention described herein relates to certain pyrimidinedione N-substituted glycine derivatives of formula (I) which are antagonists of HIF prolyl hydroxylases and are useful for treating diseases benefiting from the inhibition of this enzyme, anemia being one example.

  本发明涉及某些嘧啶二酮N-取代甘氨酸衍生物，其化学式为(I)，它们是HIF脯氨酸羟化酶的拮抗剂，并且对于治疗受益于抑制该酶的疾病是有用的，贫血就是其中一个例子。
• The Vilsmeier-Haack reaction of isoxazolin-5-ones. Synthesis and reactivity of 2-(dialkylamino)-1,3-oxazin-6-ones
  作者：Egle M. Beccalli、Alessandro Marchesini

  DOI：10.1021/jo00391a048

  日期：1987.7