N-[(1S)-1-(2-fluorophenyl)ethyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine | 1146245-84-2

• 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-(2-fluorophenyl)ethyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
• CAS: 1146245-84-2
• 化学式: C₂₃H₂₂FN₅O
• 分子量: 403.459
• InChiKey: PAINQWCUWYGDLM-INIZCTEOSA-N

物化性质

• 沸点：
  621.6±55.0 °C(predicted)
• 密度：
  1.24±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 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：

  4-溴-1-碘-2-甲氧基苯 在 copper(l) iodide 、 8-羟基喹啉 、 正丁基锂 、 硼酸三异丙酯 、 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成 N-[(1S)-1-(2-fluorophenyl)ethyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
  参考文献：
  名称：

  Pyridazine-derived γ-secretase modulators

  摘要：

  SAR of a novel series of pyridazine-derived gamma-secretase modulators is described. Compound 25 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 the levels of total A beta. Furthermore, 25 demonstrated excellent pharmacokinetic parameters as well as good CNS penetration in the rat. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.143

文献信息

• [EN] PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION<br/>[FR] DÉRIVÉS DE PYRIDAZINE POUR INHIBER LA PRODUCTION DE PEPTIDE BÉTA AMYLOÏDE
  申请人：GLAXO GROUP LTD

  公开号：WO2009050227A1

  公开（公告）日：2009-04-23

  The present invention relates to novel compounds that inhibit the production of β- amyloid peptide (1-42), processes for their preparation, to compositions containing them and to their use in the treatment of diseases characterised by elevated β-amyloid levels or β-amyloid deposits, particularly Alzheimer's disease.

  本发明涉及抑制β-淀粉样肽（1-42）产生的新化合物，其制备方法，含有这些化合物的组合物，以及它们在治疗由高β-淀粉样蛋白水平或β-淀粉样蛋白沉积特征的疾病中的用途，特别是阿尔茨海默病。
• Pyridazine-derived γ-secretase modulators
  作者：Zehong Wan、Adrian Hall、Yun Jin、Jia-Ning Xiang、Eric Yang、Andrew Eatherton、Beverley Smith、Guang Yang、Haihua Yu、Ju Wang、Liang Ye、Lit-Fui Lau、Ting Yang、William Mitchell、Wei Cai、Xiaomin Zhang、Yingxia Sang、Yonghui Wang、Zhaolong Tong、Ziqiang Cheng、Ishrut Hussain、John D. Elliott、Yasuji Matsuoka

  DOI：10.1016/j.bmcl.2011.04.143

  日期：2011.7

  SAR of a novel series of pyridazine-derived gamma-secretase modulators is described. Compound 25 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 the levels of total A beta. Furthermore, 25 demonstrated excellent pharmacokinetic parameters as well as good CNS penetration in the rat. (C) 2011 Elsevier Ltd. All rights reserved.