| 1246366-46-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1246366-46-0
• 化学式: C₂₉H₃₂FN₅O₄
• 分子量: 533.603
• InChiKey: ZOUBMKQLXAGOBS-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  39.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  103.5
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以50%的产率得到2-amino-3-[(1S)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-one
  参考文献：
  名称：

  Iminoheterocycles as γ-secretase modulators

  摘要：

  The synthesis of a novel series of iminoheterocycles and their structure-activity relationship (SAR) as modulators of gamma-secretase activity will be detailed. Encouraging SAR generated from a monocyclic core led to a structurally unique bicyclic core. Selected compounds exhibit good potency as gamma-secretase modulators, excellent rat pharmacokinetics, and lowering of A beta(42) levels in various in vivo models. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.121
• 作为产物：
  描述：

  C₂₉H₃₄FN₅O₅ 在 sodium hydride 、 甲基磺酰氯 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  Iminoheterocycles as γ-secretase modulators

  摘要：

  The synthesis of a novel series of iminoheterocycles and their structure-activity relationship (SAR) as modulators of gamma-secretase activity will be detailed. Encouraging SAR generated from a monocyclic core led to a structurally unique bicyclic core. Selected compounds exhibit good potency as gamma-secretase modulators, excellent rat pharmacokinetics, and lowering of A beta(42) levels in various in vivo models. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.121