5-Isopropylpyrimidine-2-carbaldehyde | 1268242-33-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-Isopropylpyrimidine-2-carbaldehyde
• 英文别名: 5-propan-2-ylpyrimidine-2-carbaldehyde
• CAS: 1268242-33-6
• 化学式: C₈H₁₀N₂O
• 分子量: 150.18
• InChiKey: PJZWXRSTURIIKD-UHFFFAOYSA-N

物化性质

• 沸点：
  279.8±33.0 °C(Predicted)
• 密度：
  1.091±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2-((2S,4R)-2-(4-(trifluoromethyl)phenyl)piperidin-4-yl)acetate 、 5-Isopropylpyrimidine-2-carbaldehyde 、 1-溴代异戊烷 在 T406石油添加剂 、 碘 、 magnesium 、 zinc(II) chloride 作用下， 以 甲苯 、 乙醚 、 二氯甲烷 为溶剂， 反应 24.08h， 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

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.