{(2S,4R)-1-{(1R)-4-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]pentyl}-2-[4-(trifluoromethyl)phenyl]-4-piperidinyl} acetic acid | 1217267-66-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: {(2S,4R)-1-{(1R)-4-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]pentyl}-2-[4-(trifluoromethyl)phenyl]-4-piperidinyl} acetic acid
• 英文别名: 2-((2S,4R)-1-((R)-4-Methyl-1-(6-(trifluoromethyl)pyridin-3-yl)pentyl)-2-(4-(trifluoromethyl)phenyl)piperidin-4-yl)acetic acid；2-[(2S,4R)-1-[(1R)-4-methyl-1-[6-(trifluoromethyl)pyridin-3-yl]pentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
• CAS: 1217267-66-7
• 化学式: C₂₆H₃₀F₆N₂O₂
• 分子量: 516.527
• InChiKey: JPYSCTNQOYSJRQ-YHYVQYDKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  {(2S,4R)-1-{(1R)-4-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]pentyl}-2-[4-(trifluoromethyl)phenyl]-4-piperidinyl} acetic acid 在 fumaric acid 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Piperidine-derived γ-secretase modulators

  摘要：

  This Letter details the SAR of a novel series of piperidine-derived gamma-secretase modulators. Compound 10h was found to be a potent modulator in vitro, which on further pro. ling, was found to decrease A beta 42, increase A beta 38 and have no effect on A beta 40 levels. Furthermore, 10h demonstrated excellent pharmacokinetic parameters in the mouse, rat and dog in addition to good CNS penetration in the mouse. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.08.072
• 作为产物：
  描述：

  methyl {(2S,4R)-1-{(1R)-4-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]pentyl}-2-[4-(trifluoromethyl)phenyl]-4-piperidinyl}acetate 在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 {(2S,4R)-1-{(1R)-4-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]pentyl}-2-[4-(trifluoromethyl)phenyl]-4-piperidinyl} acetic acid
  参考文献：
  名称：

  Piperidine-derived γ-secretase modulators

  摘要：

  This Letter details the SAR of a novel series of piperidine-derived gamma-secretase modulators. Compound 10h was found to be a potent modulator in vitro, which on further pro. ling, was found to decrease A beta 42, increase A beta 38 and have no effect on A beta 40 levels. Furthermore, 10h demonstrated excellent pharmacokinetic parameters in the mouse, rat and dog in addition to good CNS penetration in the mouse. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.08.072

文献信息

• Piperidine-derived γ-secretase modulators
  作者：Adrian Hall、Richard L. Elliott、Gerard M.P. Giblin、Ishrut Hussain、James Musgrave、Alan Naylor、Rosemary Sasse、Beverley Smith

  DOI：10.1016/j.bmcl.2009.08.072

  日期：2010.2

  This Letter details the SAR of a novel series of piperidine-derived gamma-secretase modulators. Compound 10h was found to be a potent modulator in vitro, which on further pro. ling, was found to decrease A beta 42, increase A beta 38 and have no effect on A beta 40 levels. Furthermore, 10h demonstrated excellent pharmacokinetic parameters in the mouse, rat and dog in addition to good CNS penetration in the mouse. (C) 2009 Published by Elsevier Ltd.