| 1207683-43-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• CAS: 1207683-43-9
• 化学式: C₂₅H₃₃F₈NO₃
• 分子量: 547.529
• InChiKey: CJUBLJJIWZIUHL-ZJWBFHOUSA-N

物化性质

• 沸点：
  489.3±45.0 °C(predicted)
• 密度：
  1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.91
• 重原子数：
  37.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  49.77
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 生成 methyl {(2R,4S)-1-[(1R)-4,4-dimethyl-1-(3,3,3-trifluoropropyl)pentyl]-3,3-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl}acetate
  参考文献：
  名称：

  Fluorinated piperidine acetic acids as γ-secretase modulators

  摘要：

  We report herein a novel series of difluoropiperidine acetic acids as modulators of gamma-secretase. Synthesis of 2-aryl-3,3-difluoropiperidine analogs was facilitated by a unique and selective beta-difluorination with Selectfluor (R). Compounds 1f and 2c were selected for in vivo assessment and demonstrated selective lowering of A beta 42 in a genetically engineered mouse model of APP processing. Moreover, in a 7-day safety study, rats treated orally with compound 1f (250 mg/kg per day, AUC(0-24) = 2100 mu M h) did not exhibit Notch-related effects. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.034
• 作为产物：
  描述：

  methyl {(2S,4R)-1-[(1R)-4,4-dimethyl-1-(3,3,3-trifluoropropyl)pentyl]-2-[4-(trifluoromethyI)phenyl]piperidin-4-yl}acetate 在 Selectfluor 、 水 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Fluorinated piperidine acetic acids as γ-secretase modulators

  摘要：

  We report herein a novel series of difluoropiperidine acetic acids as modulators of gamma-secretase. Synthesis of 2-aryl-3,3-difluoropiperidine analogs was facilitated by a unique and selective beta-difluorination with Selectfluor (R). Compounds 1f and 2c were selected for in vivo assessment and demonstrated selective lowering of A beta 42 in a genetically engineered mouse model of APP processing. Moreover, in a 7-day safety study, rats treated orally with compound 1f (250 mg/kg per day, AUC(0-24) = 2100 mu M h) did not exhibit Notch-related effects. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.034