N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-propan-2-ylpyridazin-3-amine | 1314254-41-5

• 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]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-propan-2-ylpyridazin-3-amine
• CAS: 1314254-41-5
• 化学式: C₂₆H₂₈FN₅O
• 分子量: 445.54
• InChiKey: QLZIPZSSIJMSKJ-SFHVURJKSA-N

物化性质

• 沸点：
  639.8±55.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 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：

  1-[4-iodo-3-(methyloxy)phenyl]ethanone 在 copper(l) iodide 、 8-羟基喹啉 、 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 三乙胺 、 lithium hexamethyldisilazane 、 肼 、 三氯氧磷 作用下， 以 四氢呋喃 、 二甲基亚砜 、 甲苯 为溶剂， 生成 N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-propan-2-ylpyridazin-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

• 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.