(S)-7-(1-(4-fluorophenyl)ethyl)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-5-((4-methoxybenzyloxy)methyl)-7H-pyrazolo[3,4-b]pyridine | 1160358-02-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (S)-7-(1-(4-fluorophenyl)ethyl)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-5-((4-methoxybenzyloxy)methyl)-7H-pyrazolo[3,4-b]pyridine
• 英文别名: 7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine
• CAS: 1160358-02-0
• 化学式: C₃₄H₃₂FN₅O₃
• 分子量: 577.658
• InChiKey: FEMCURPRORMOPU-QHCPKHFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (S)-7-(1-(4-fluorophenyl)ethyl)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-5-((4-methoxybenzyloxy)methyl)-7H-pyrazolo[3,4-b]pyridine 在 ammonium cerium (IV) nitrate 、 二乙胺基三氟化硫 、 水 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 4.0h， 生成 (S)-5-(fluoromethyl)-7-(1-(4-fluorophenyl)ethyl)-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：

  2-羟基-3-溴-5-乙酸酯吡啶 在 吡啶 、 sodium tetrahydroborate 、 lithium chloro-isopropyl-magnesium chloride 、 三聚氟氰 、 三丁基膦 、 水 、 sodium hydride 、 戴斯-马丁氧化剂 、 一水合肼 、 sodium hydroxide 、 1,1'-azodicarbonyl-dipiperidine 、 三氯氧磷 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 反应 107.3h， 生成 (S)-7-(1-(4-fluorophenyl)ethyl)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-5-((4-methoxybenzyloxy)methyl)-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

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。
• GAMMA SECRETASE MODULATORS
  申请人：Huang Xianhai

  公开号：US20110015190A1

  公开（公告）日：2011-01-20

  This invention provides novel compounds that are modulators of gamma secretase. The compounds have the formula (I) wherein R 2 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).

  本发明提供了一种新型化合物，其为γ-分泌酶的调节剂。该化合物的化学式为(I)，其中R2是化学式(II)的融合双环。此外，还揭示了利用化合物(I)调节γ-分泌酶活性和治疗阿尔茨海默病的方法。
• US8450343B2
  申请人：——

  公开号：US8450343B2

  公开（公告）日：2013-05-28
• 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.