2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-prop-2-en-1-ol | 199988-73-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-prop-2-en-1-ol
• 英文别名: 2-(3,5,5,8,8-Pentamethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol
• CAS: 199988-73-3
• 化学式: C₁₈H₂₆O
• 分子量: 258.404
• InChiKey: RELVECUSIDSLBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-prop-2-en-1-ol 在 DCE 、 diethylzinc 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 生成 1-(3,5,5,8,8-Pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde
  参考文献：
  名称：

  Synthesis and structure-activity relationships of potent conformationally restricted retinoid X receptor ligands

  摘要：

  A series of potent retinoid X receptor (RXR) selective ligands were designed and prepared. The lead compound 6a, showed good binding (K-d; 3-7 nM) and transactivation (EC50; 19-24 nM) to the RXR subfamily of retinoid receptors. More importantly, a small variation on the aromatic ring moiety led to 6b, which had less residual RAR agonist activity with RXR binding and potency of 4-5 nM and 5-13 nM, respectively. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10079-8
• 作为产物：
  描述：

  3,5,5,8,8-五甲基-5,6,7,8-四氢萘-2-硼酸 在 叔丁基过氧化氢 、 四(三苯基膦)钯 、 selenium(IV) oxide 、 sodium carbonate 作用下， 以 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 生成 2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-prop-2-en-1-ol
  参考文献：
  名称：

  Synthesis and structure-activity relationships of potent conformationally restricted retinoid X receptor ligands

  摘要：

  A series of potent retinoid X receptor (RXR) selective ligands were designed and prepared. The lead compound 6a, showed good binding (K-d; 3-7 nM) and transactivation (EC50; 19-24 nM) to the RXR subfamily of retinoid receptors. More importantly, a small variation on the aromatic ring moiety led to 6b, which had less residual RAR agonist activity with RXR binding and potency of 4-5 nM and 5-13 nM, respectively. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10079-8

文献信息

• US7655699B1
  申请人：——

  公开号：US7655699B1

  公开（公告）日：2010-02-02