5-Chloro-1-[1-(2,5-difluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one | 1128103-70-7

• 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-(2,5-difluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
• CAS: 1128103-70-7
• 化学式: C₂₅H₂₂ClF₂N₃O₃
• 分子量: 485.918
• InChiKey: LOSZBELANOOJRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  67.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-Chloro-1-[1-(2,5-difluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 5-Chloro-1-[1-(2,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]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
• 作为产物：
  描述：

  2,5-Difluor-α-brom-ethylbenzol 在 lithium chloro-isopropyl-magnesium chloride 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.5h， 生成 5-Chloro-1-[1-(2,5-difluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]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

• GAMMA SECRETASE MODULATORS
  申请人：Aslanian Robert G.

  公开号：US20110082153A1

  公开（公告）日：2011-04-07

  This invention provides novel compounds that are modulators of gamma secretase. The compounds have the formula (I). Also disclosed are methods of modulating gamma secretase activity and methods of treating Alzheimer's Disease using the compounds of formula (I).
• US8518975B2
  申请人：——

  公开号：US8518975B2

  公开（公告）日：2013-08-27
• Discovery of a Potent Pyrazolopyridine Series of γ-Secretase Modulators
  作者：Jun Qin、Wei Zhou、Xianhai Huang、Pawan Dhondi、Anandan Palani、Robert Aslanian、Zhaoning Zhu、William Greenlee、Mary Cohen-Williams、Nicholas Jones、Lynn Hyde、Lili Zhang

  DOI：10.1021/ml2000438

  日期：2011.6.9

  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.