3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-7-yl)-4-trifluoromethoxy-benzaldehyde | 932384-62-8

• 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: 3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-7-yl)-4-trifluoromethoxy-benzaldehyde
• 英文别名: 3-(1-ethyl-4,4,6-trimethyl-2-oxo-3,1-benzoxazin-7-yl)-4-(trifluoromethoxy)benzaldehyde
• CAS: 932384-62-8
• 化学式: C₂₁H₂₀F₃NO₄
• 分子量: 407.389
• InChiKey: DBIFQCNSSYSOSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-7-yl)-4-trifluoromethoxy-benzaldehyde 在 N,N-二甲基丙烯基脲 、 正丁基锂 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 3-[3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-7-yl)-4-trifluoromethoxy-phenyl]-acrylic acid
  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：

  4,4,6-Trimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one 在 四(三苯基膦)钯 氢氧化钾 、 N-溴代丁二酰亚胺(NBS) 、 potassium carbonate 作用下， 以 乙醇 、 二氯甲烷 、 二甲基亚砜 、 甲苯 为溶剂， 反应 24.0h， 生成 3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-7-yl)-4-trifluoromethoxy-benzaldehyde
  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

• Heterocyclic amide derivatives as RXR agonists for the treatment of dyslipidemia, hypercholesterolemia and diabetes
  申请人：Lagu Bharat

  公开号：US20070078129A1

  公开（公告）日：2007-04-05

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating RXR mediated disorders. More particularly, the compounds of the present invention are RXR agonists useful for treating RXR mediated disorders.

  本发明涉及式(I)的化合物，制备这些化合物的方法，组合物，中间体及其衍生物以及用于治疗RXR介导的疾病。更具体地说，本发明的化合物是RXR激动剂，可用于治疗RXR介导的疾病。
• HETEROCYCLIC AMIDE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP1948623A2

  公开（公告）日：2008-07-30
• US7723326B2
  申请人：——

  公开号：US7723326B2

  公开（公告）日：2010-05-25
• [EN] HETEROCYCLIC AMIDE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES<br/>[FR] DERIVES D'AMIDES HETEROCYCLIQUES UTILISES EN TANT QU'AGONISTES DU RECEPTEUR RXR POUR LE TRAITEMENT DE LA DYSLIPIDEMIE, DE L'HYPERCHOLESTEROLEMIE ET DU DIABETE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2007041077A2

  公开（公告）日：2007-04-12

  [EN] The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating RXR mediated disorders. More particularly, the compounds of the present invention are RXR agonists useful for treating RXR mediated disorders.
  [FR] L'invention concerne des composés de formule (I), des méthodes de préparation desdits composés, de compositions, d'intermédiaires et de dérivés de ceux-ci ; et des méthodes de traitement de troubles à médiation assurée par le récepteur RXR. Plus particulièrement, les composés de l'invention sont des agonistes du récepteur RXR utilisés pour le traitement de troubles à médiation assurée par le récepteur RXR.
• 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.