1-(2-Hydroxy-5-iodo-3-isopropyl-phenyl)-ethanone | 330935-53-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-Hydroxy-5-iodo-3-isopropyl-phenyl)-ethanone
• 英文别名: 1-(2-Hydroxy-5-iodo-3-propan-2-ylphenyl)ethanone
• CAS: 330935-53-0
• 化学式: C₁₁H₁₃IO₂
• 分子量: 304.128
• InChiKey: FKEVGBLDQYEZAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-Hydroxy-5-iodo-3-isopropyl-phenyl)-ethanone 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 8-Isopropyl-4-methyl-6-thiophen-2-yl-chromen-2-one
  参考文献：
  名称：

  Design and synthesis of novel RXR-selective modulators with improved pharmacological profile

  摘要：

  New RXR-selective modulators possessing a 6-fluoro trienoic acid moiety (6Z olefin) or a fluorinated/heterocyclic-substituted benzene core ring, were synthesized in an expedient and selective way. A subset of these compounds was evaluated for their metabolic properties (exposure in IRC male mice) and show a dramatic increase of exposure compared to our reference compound, 3 (LG101506). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.048
• 作为产物：
  描述：

  1-(2-羟基-3-异丙基苯基)乙酮 在 N-碘代丁二酰亚胺 、 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 生成 1-(2-Hydroxy-5-iodo-3-isopropyl-phenyl)-ethanone
  参考文献：
  名称：

  Design and synthesis of novel RXR-selective modulators with improved pharmacological profile

  摘要：

  New RXR-selective modulators possessing a 6-fluoro trienoic acid moiety (6Z olefin) or a fluorinated/heterocyclic-substituted benzene core ring, were synthesized in an expedient and selective way. A subset of these compounds was evaluated for their metabolic properties (exposure in IRC male mice) and show a dramatic increase of exposure compared to our reference compound, 3 (LG101506). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.048

文献信息

• RXR modulators with improved pharmacologic profile
  申请人：——

  公开号：US20040049072A1

  公开（公告）日：2004-03-11

  The present invention provides a novel class of RXR modulator compounds that exhibit an improved pharmacologic profile relative to the profile of previously studied RXR modulators, including those that share common structural features with the presently claimed modulators. The present invention also provides synthetic methods for preparing these compounds as well as pharmaceutical compositions incorporating these novel compounds and methods for the therapeutic use of such compounds and pharmaceutical compositions.

  本发明提供了一种新型的RXR调节剂化合物，相对于先前研究过的RXR调节剂，包括那些与目前所声称的调节剂具有共同结构特征的化合物，表现出改进的药理学特性。本发明还提供了合成这些化合物的方法，以及包含这些新型化合物的药物组合物和这些化合物和药物组合物的治疗用途的方法。
• RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE
  申请人：LIGAND PHARMACEUTICALS INCORPORATED

  公开号：EP1216221A2

  公开（公告）日：2002-06-26
• US6593493B1
  申请人：——

  公开号：US6593493B1

  公开（公告）日：2003-07-15
• [EN] RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE<br/>[FR] MODULATEURS RXR A PROFIL PHARMACOLOGIQUE AMELIORE
  申请人：LIGAND PHARM INC

  公开号：WO2001019770A2

  公开（公告）日：2001-03-22

  The present invention provides a novel class of RXR modulator compounds that exhibit an improved pharmacologic profile relative to the profile of previously studied RXR modulators, including those that share common structural features with the presently claimed modulators. The present invention also provides synthetic methods for preparing these compounds as well as pharmaceutical compositions incorporating these novel compounds and methods for the therapeutic use of such compounds and pharmaceutical compositions.