N-[(1S)-1-(4-fluorophenyl)ethyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrimidin-2-amine | 1320343-75-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-[(1S)-1-(4-fluorophenyl)ethyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrimidin-2-amine
• CAS: 1320343-75-6
• 化学式: C₂₃H₂₂FN₅O
• 分子量: 403.459
• InChiKey: OCWYFYWZXXLIND-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (S)-(-)-1-(4-氟苯基)乙胺 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 3.5h， 生成 N-[(1S)-1-(4-fluorophenyl)ethyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrimidin-2-amine
  参考文献：
  名称：

  Pyridine-derived γ-secretase modulators

  摘要：

  SAR of a novel series of pyridine-derived gamma-secretase modulators is described. Compound 5 was found to be a potent modulator in vitro, which on further profiling, was found to decrease A beta 42 and A beta 40, and maintain (or increase) the levels of total A beta. Furthermore, representative compounds 1 and 5 demonstrated in vivo efficacy to lower A beta 42 in the brain without altering Notch processing in the peripheral. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.042

文献信息

• Pyridine-derived γ-secretase modulators
  作者：Zehong Wan、Adrian Hall、Yingxia Sang、Jia-Ning Xiang、Eric Yang、Beverley Smith、David C. Harrison、Guang Yang、Haihua Yu、Helen S. Price、Jian Wang、Julie Hawkins、Lit-Fui Lau、Matthew R. Johnson、Tina Li、Wei Zhao、William L. Mitchell、Xiaobo Su、Xiaomin Zhang、Yanjiao Zhou、Yun Jin、Zhaolong Tong、Ziqiang Cheng、Ishrut Hussain、John D. Elliott、Yasuji Matsuoka

  DOI：10.1016/j.bmcl.2011.06.042

  日期：2011.8

  SAR of a novel series of pyridine-derived gamma-secretase modulators is described. Compound 5 was found to be a potent modulator in vitro, which on further profiling, was found to decrease A beta 42 and A beta 40, and maintain (or increase) the levels of total A beta. Furthermore, representative compounds 1 and 5 demonstrated in vivo efficacy to lower A beta 42 in the brain without altering Notch processing in the peripheral. (C) 2011 Elsevier Ltd. All rights reserved.