4-Ethyl-2,2,7-trimethyl-1,4-benzoxazin-3-one | 945041-96-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 4-Ethyl-2,2,7-trimethyl-1,4-benzoxazin-3-one
• 英文别名: 4-ethyl-2,2,7-trimethyl-1,4-benzoxazin-3-one
• CAS: 945041-96-3
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: OZFXODLLERAFRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Ethyl-2,2,7-trimethyl-1,4-benzoxazin-3-one 在 四(三苯基膦)钯 N-溴代丁二酰亚胺(NBS) 、 potassium carbonate 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 12.0h， 生成 6-(5-Acetyl-2-trifluoromethoxy-phenyl)-4-ethyl-2,2,7-trimethyl-4H-benzo[1,4]oxazin-3-one
  参考文献：
  名称：

  RXR–LXR heterodimer modulators for the potential treatment of dyslipidemia

  摘要：

  A number of RXR agonists were synthesized and screened in functional assays. The synthesis and tile structure-activity relationship (SAR) within the series of compounds will be presented. Some in vivo data in rodent models for dyslipidemia and diabetes will also be presented. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.047
• 作为产物：
  描述：

  6-氨基间甲酚 在 氢氧化钾 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 15.0h， 生成 4-Ethyl-2,2,7-trimethyl-1,4-benzoxazin-3-one
  参考文献：
  名称：

  RXR–LXR heterodimer modulators for the potential treatment of dyslipidemia

  摘要：

  A number of RXR agonists were synthesized and screened in functional assays. The synthesis and tile structure-activity relationship (SAR) within the series of compounds will be presented. Some in vivo data in rodent models for dyslipidemia and diabetes will also be presented. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.047

文献信息

• CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS
  申请人：Singh Rajinder

  公开号：US20100130486A1

  公开（公告）日：2010-05-27

  The invention encompasses compounds having formula I or II and the compositions and methods using these compounds in the treatment of conditions in which inhibition of PKC and PKD is therapeutically useful.

  本发明涵盖具有公式I或II的化合物，以及使用这些化合物治疗抑制PKC和PKD在治疗上有用的情况的组合物和方法。
• US8993585B2
  申请人：——

  公开号：US8993585B2

  公开（公告）日：2015-03-31
• RXR–LXR heterodimer modulators for the potential treatment of dyslipidemia
  作者：Bharat Lagu、Barbara Pio、Rimma Lebedev、Maria Yang、Patricia D. Pelton

  DOI：10.1016/j.bmcl.2007.01.047

  日期：2007.6

  A number of RXR agonists were synthesized and screened in functional assays. The synthesis and tile structure-activity relationship (SAR) within the series of compounds will be presented. Some in vivo data in rodent models for dyslipidemia and diabetes will also be presented. (c) 2007 Published by Elsevier Ltd.