(R)-4-(3-(4-(2-(benzyloxy)-3,3-dimethylbutoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenol | 1005765-15-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-4-(3-(4-(2-(benzyloxy)-3,3-dimethylbutoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenol
• CAS: 1005765-15-0
• 化学式: C₃₂H₄₂O₃
• 分子量: 474.684
• InChiKey: FEXGYLWITORHHW-PMERELPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.13
• 重原子数：
  35.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (R)-4-(3-(4-(2-(benzyloxy)-3,3-dimethylbutoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenol 、 (R)-缩水甘油 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  (2S,2′R)-Analogue of LG190178 is a major active isomer

  摘要：

  Vitamin D receptor (VDR) ligands are therapeutic agents for the treatment of psoriasis, osteoporosis, and secondary hyperparathyroidism. VDR ligands also show immense potential as therapeutic agents for autoimmune diseases and cancers of the skin, prostate, colon, and breast as well as leukemia. LG190178 is a novel non-secosteroidal ligand for VDR. We synthesized and evaluated stereoisomers of LG190178 and found that only an (2S,2'R)-analogue of LG190178 (YR301) had strong activity. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.007
• 作为产物：
  描述：

  (R)-2-(benzyloxy)-3,3-dimethylbutyl 4-methylbenzenesulfonate 、 3,3-bis[4-hydroxy-3-methylphenyl]pentane 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以32%的产率得到(R)-4-(3-(4-(2-(benzyloxy)-3,3-dimethylbutoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenol
  参考文献：
  名称：

  (2S,2′R)-Analogue of LG190178 is a major active isomer

  摘要：

  Vitamin D receptor (VDR) ligands are therapeutic agents for the treatment of psoriasis, osteoporosis, and secondary hyperparathyroidism. VDR ligands also show immense potential as therapeutic agents for autoimmune diseases and cancers of the skin, prostate, colon, and breast as well as leukemia. LG190178 is a novel non-secosteroidal ligand for VDR. We synthesized and evaluated stereoisomers of LG190178 and found that only an (2S,2'R)-analogue of LG190178 (YR301) had strong activity. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.007