(2Z)-3-(4-hydroxy-2-buten-2-yl)-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-(n-propyloxy)naphthalene | 277334-43-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (2Z)-3-(4-hydroxy-2-buten-2-yl)-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-(n-propyloxy)naphthalene
• 英文别名: (Z)-3-(5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalen-2-yl)but-2-en-1-ol
• CAS: 277334-43-7
• 化学式: C₂₁H₃₂O₂
• 分子量: 316.484
• InChiKey: QQZXWWYSDIJNGD-NVNXTCNLSA-N

物化性质

• 沸点：
  446.2±45.0 °C(Predicted)
• 密度：
  0.963±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2Z)-3-(4-hydroxy-2-buten-2-yl)-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-(n-propyloxy)naphthalene 在 N-甲基吲哚酮 、 四丙基高钌酸铵 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以90%的产率得到(2Z)-3-[5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-(n-propyloxy)naphthalen-3-yl]but-2-en-1-al
  参考文献：
  名称：

  An Efficient, Stereospecific Synthesis of the Dimer-Selective Retinoid X Receptor Modulator (2E,4E,6Z)-7-[5,6,7,8- Tetrahydro-5,5,8,8-tetramethyl-2- (n-propyloxy)naphthalen-3-yl]-3- methylocta-2,4,6-trienoic Acid

  摘要：

  DOI：

  10.1021/jo991936x
• 作为产物：
  描述：

  5,5,8,8-四甲基-5,6,7,8-四氢萘-2-醇 在 lithium aluminium tetrahydride 、 cesium fluoride 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 生成 (2Z)-3-(4-hydroxy-2-buten-2-yl)-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-(n-propyloxy)naphthalene
  参考文献：
  名称：

  An Efficient, Stereospecific Synthesis of the Dimer-Selective Retinoid X Receptor Modulator (2E,4E,6Z)-7-[5,6,7,8- Tetrahydro-5,5,8,8-tetramethyl-2- (n-propyloxy)naphthalen-3-yl]-3- methylocta-2,4,6-trienoic Acid

  摘要：

  DOI：

  10.1021/jo991936x

文献信息

• RXR modulators with improved pharmacologic profile
  申请人：Ligand Pharmaceuticals, Inc.

  公开号：US06593493B1

  公开（公告）日：2003-07-15

  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，相对于先前研究的RXR调节剂的药理特性有所改进，包括那些与当前声明的调节剂具有共同结构特征的化合物。本发明还提供了用于制备这些化合物的合成方法，以及包含这些新型化合物的药物组合物和这些化合物及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.
• An Efficient, Stereospecific Synthesis of the Dimer-Selective Retinoid X Receptor Modulator (2<i>E</i>,4<i>E</i>,6<i>Z</i>)-7-[5,6,7,8- Tetrahydro-5,5,8,8-tetramethyl-2- (<i>n</i>-propyloxy)naphthalen-3-yl]-3- methylocta-2,4,6-trienoic Acid
  作者：Lawrence G. Hamann

  DOI：10.1021/jo991936x

  日期：2000.5.1