5-chloro-1-[1-(4-fluorophenyl)-3-methylsulfonylpropyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one | 1160360-14-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-chloro-1-[1-(4-fluorophenyl)-3-methylsulfonylpropyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one
• CAS: 1160360-14-4
• 化学式: C₂₇H₂₇ClFN₅O₄S
• 分子量: 572.06
• InChiKey: JUZUZUICHFEYKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  128
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-chloro-1-[1-(4-fluorophenyl)-3-methylsulfonylpropyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one 在 三氯氧磷 作用下， 生成 5-chloro-7-(1-(4-fluorophenyl)-3-(methylsulfonyl)propyl)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-7H-pyrazolo[3,4-b]pyridine
  参考文献：
  名称：

  Discovery of a Potent Pyrazolopyridine Series of γ-Secretase Modulators

  摘要：

  The synthesis and structure activity relationship of a novel series of pyrazolopyridines are reported. These compounds represent a new class of gamma-secretase modulators that demonstrate good in vitro potency in inhibiting A beta(42) production. Examples with statistically significant in vivo efficacy in reducing the production of rat cerebrospinal fluid A beta(42) were also identified.

  DOI：

  10.1021/ml2000438
• 作为产物：
  描述：

  在 吡啶 、 肼 作用下， 生成 5-chloro-1-[1-(4-fluorophenyl)-3-methylsulfonylpropyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one
  参考文献：
  名称：

  Discovery of a Potent Pyrazolopyridine Series of γ-Secretase Modulators

  摘要：

  The synthesis and structure activity relationship of a novel series of pyrazolopyridines are reported. These compounds represent a new class of gamma-secretase modulators that demonstrate good in vitro potency in inhibiting A beta(42) production. Examples with statistically significant in vivo efficacy in reducing the production of rat cerebrospinal fluid A beta(42) were also identified.

  DOI：

  10.1021/ml2000438

文献信息

• [EN] GAMMA SECRETASE MODULATORS<br/>[FR] MODULATEURS DE LA GAMMA SÉCRÉTASE
  申请人：SCHERING CORP

  公开号：WO2009073777A1

  公开（公告）日：2009-06-11

  This invention provides novel compounds that are modulators of gamma secretase. The compounds have the formula (I) wherein R2 is a fused bicyclic ring of the formula (II). Also disclosed are methods of modulating gamma secretase activity and methods of treating Alzheimer's disease using the compounds of formula (I).

  这项发明提供了一种调节γ-分泌酶的新型化合物。这些化合物的公式为（I），其中R2是公式（II）的融合双环环。还公开了一种调节γ-分泌酶活性的方法，以及使用公式（I）的化合物治疗阿尔茨海默病的方法。