4-(2,4-dichlorophenyl)-8-(3-pentyl)-7-ethyl-2-methyl-pyrazolo[1,5-a]-1,3,5-triazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并三嗪类
• 英文名称: 4-(2,4-dichlorophenyl)-8-(3-pentyl)-7-ethyl-2-methyl-pyrazolo[1,5-a]-1,3,5-triazine
• 英文别名: 4-(2,4-dichlorophenyl)-7-ethyl-2-methyl-8-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazine
• 化学式: C₁₉H₂₂Cl₂N₄
• 分子量: 377.316
• InChiKey: SNMJCYLJTFHBHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-乙基溴代丁烷 在 正丁基锂 、 一水合肼 、 溶剂黄146 、 二异丙胺 、 potassium iodide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 正己烷 、 二甲基亚砜 、 甲苯 为溶剂， 反应 41.75h， 生成 4-(2,4-dichlorophenyl)-8-(3-pentyl)-7-ethyl-2-methyl-pyrazolo[1,5-a]-1,3,5-triazine
  参考文献：
  名称：

  Pyrazolo-[1,5-a]-1,3,5-triazine corticotropin-Releasing factor (CRF) receptor ligands

  摘要：

  The syntheses and rat CRF receptor binding affinities of 'retro-pyrazolotriazine' corticotropin-releasing factor (CRF) ligands 4 are reported. Some have high affinity for rat CRF receptors (K-i < 10 nM). The data provide additional support for the hypothesis that it is possible to interchange isosteric cores with similar electronic properties in the design of high-affinity CRF receptor ligands, provided the peripheral pharmacophore elements are maintained in the same three-dimensional array. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00398-5

文献信息

• Pyrazolotriazines as CRF antagonists
  申请人：——

  公开号：US20020147338A1

  公开（公告）日：2002-10-10

  The present invention relates to pyrazolotriazines according to formula (I) 1 and stereoisomers, isomers and salts thereof wherein R 1 -R 5 are selected from certain alkyl, aryl and heteroaryl species as defined in the specification wherein all of the compounds are useful as CRF antagonists and are thus useful in the treatment of neurological disorders as well as a multitude of other CRF associated diseases or conditions.

  本发明涉及按照公式(I)1及其立体异构体、同分异构体和盐所选择的R1-R5从特定烷基、芳基和杂环芳基物种中选择，如规范中所定义，其中所有化合物均可用作CRF拮抗剂，因此在治疗神经系统疾病以及多种其他与CRF相关的疾病或症状中有用。
• US6960583B2
  申请人：——

  公开号：US6960583B2

  公开（公告）日：2005-11-01
• US7026317B2
  申请人：——

  公开号：US7026317B2

  公开（公告）日：2006-04-11
• Pyrazolo-[1,5-a]-1,3,5-triazine corticotropin-Releasing factor (CRF) receptor ligands
  作者：Paul J Gilligan、Beverly K Folmer、Richard A Hartz、Stephanie Koch、Kausik K Nanda、Stephen Andreuski、Lawrence Fitzgerald、Keith Miller、William J Marshall

  DOI：10.1016/s0968-0896(03)00398-5

  日期：2003.9

  The syntheses and rat CRF receptor binding affinities of 'retro-pyrazolotriazine' corticotropin-releasing factor (CRF) ligands 4 are reported. Some have high affinity for rat CRF receptors (K-i < 10 nM). The data provide additional support for the hypothesis that it is possible to interchange isosteric cores with similar electronic properties in the design of high-affinity CRF receptor ligands, provided the peripheral pharmacophore elements are maintained in the same three-dimensional array. (C) 2003 Elsevier Ltd. All rights reserved.