(2-乙基-5-甲基-2H-吡唑-3-基)-乙腈 | 955403-36-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: (2-乙基-5-甲基-2H-吡唑-3-基)-乙腈
• 英文名称: (2-ethyl-5-methyl-2H-pyrazol-3-yl)-acetonitrile
• 英文别名: 2-(2-ethyl-5-methylpyrazol-3-yl)acetonitrile
• CAS: 955403-36-8
• 化学式: C₈H₁₁N₃
• 分子量: 149.195
• InChiKey: KYAFNWIZLZGSRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  41.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2-乙基-5-甲基-2H-吡唑-3-基)-乙腈 在 lithium aluminium tetrahydride 、 sodium hydroxide 、 水 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 2.85h， 生成 2-(1-乙基-3-甲基-1H-吡唑-5-基)乙胺
  参考文献：
  名称：

  PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS

  摘要：

  这项发明涉及新型吡唑并四氢吡啶化合物及其作为促进睡眠的受体拮抗剂的用途。

  公开号：

  US20090099228A1
• 作为产物：
  描述：

  (2-ethyl-5-methyl-2H-pyrazol-3-yl)-acetic acid methyl ester 在 吡啶 、 氨 、 三氟乙酸酐 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 24.0h， 生成 (2-乙基-5-甲基-2H-吡唑-3-基)-乙腈
  参考文献：
  名称：

  PYRAZOLO-TETRAHYDROPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS

  摘要：

  公开号：

  EP2013209B1

文献信息

• PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Aissaoui Hamed

  公开号：US20090099228A1

  公开（公告）日：2009-04-16

  The invention relates to novel pyrazolo-tetrahydropyridines compounds and their use as orexin receptor antagonists.

  这项发明涉及新型吡唑并四氢吡啶化合物及其作为促进睡眠的受体拮抗剂的用途。
• Pyrazolo-tetrahydro pyridine derivatives as orexin receptor antagonists
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US07834028B2

  公开（公告）日：2010-11-16

  The invention relates to novel pyrazolo-tetrahydropyridines compounds and their use as orexin receptor antagonists.

  本发明涉及新型的吡唑四氢吡啶化合物及其用作促进睡眠荷尔蒙受体拮抗剂。
• Novel pyrazolo-tetrahydropyridines as potent orexin receptor antagonists
  作者：Thierry Sifferlen、Christoph Boss、Emmanuelle Cottreel、Ralf Koberstein、Markus Gude、Hamed Aissaoui、Thomas Weller、John Gatfield、Catherine Brisbare-Roch、Francois Jenck

  DOI：10.1016/j.bmcl.2010.01.070

  日期：2010.3

  A novel series of dual orexin receptor antagonists was prepared by heteroaromatic five-membered ring system replacement of the dimethoxyphenyl moiety contained in the tetrahydroisoquinoline core skeleton of almorexant. Thus, replacement of the dimethoxyphenyl by a substituted pyrazole and additional optimization of the substitution pattern of the phenethyl motif allowed the identification of potent antagonists with low nanomolar affinity for hOX(1)R and hOX(2)R. The synthesis and structure-activity relationship of these novel antagonists will be discussed in this communication. These investigations furnished several suitable candidates for further evaluation in in vivo studies in rats. (C) 2010 Elsevier Ltd. All rights reserved.
• NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS
  申请人：Minne Garrett Berlond

  公开号：US20140148450A1

  公开（公告）日：2014-05-29

  The present invention is concerned with novel substituted indole derivatives of Formula (I) wherein R 1 , R 2 , R 3 , A 1 , A 2 , A 3 , Y and X have the meaning defined in the claims. The compounds according to the present invention are useful as gamma secretase modulators. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.
• US7834028B2
  申请人：——

  公开号：US7834028B2

  公开（公告）日：2010-11-16