| 1024003-37-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1024003-37-9
• 化学式: C₁₉H₂₆ClNO₅
• 分子量: 383.872
• InChiKey: GYBLCPRYWDKUBK-UHFFFAOYSA-N

物化性质

• 沸点：
  430.6±45.0 °C(predicted)
• 密度：
  1.168±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.73
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  73.86
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 间氯过氧苯甲酸 作用下， 生成
  参考文献：
  名称：

  4-Aminopyrimidine tetrahydronaphthols: A series of novel vanilloid receptor-1 antagonists with improved solubility properties

  摘要：

  8-( 6-( 4-( Trifluoromethyl) phenyl) pyrimidin- 4- ylamino)- 1,2,3,4- tetrahydronaphthalen- 2- ol ( 4) and analogs ( 5 - 10) were shown to be potent inhibitors of human and rat TRPV1 in vitro with increased solubility over our previous series. Synthesis, SAR, and improvements in metabolic stability and absorption of these compounds are described herein. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.022
• 作为产物：
  描述：

  3-amino-6-chloro-2-prop-2-enylphenol 、 二碳酸二叔丁酯 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  4-Aminopyrimidine tetrahydronaphthols: A series of novel vanilloid receptor-1 antagonists with improved solubility properties

  摘要：

  8-( 6-( 4-( Trifluoromethyl) phenyl) pyrimidin- 4- ylamino)- 1,2,3,4- tetrahydronaphthalen- 2- ol ( 4) and analogs ( 5 - 10) were shown to be potent inhibitors of human and rat TRPV1 in vitro with increased solubility over our previous series. Synthesis, SAR, and improvements in metabolic stability and absorption of these compounds are described herein. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.022