GSK325971A | 865718-72-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 英文名称: GSK325971A
• 英文别名: 4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
• CAS: 865718-72-5
• 化学式: C₁₈H₁₉ClN₄O
• 分子量: 342.828
• InChiKey: XLMANSLWCIMZAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  59.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯-1-乙基-1H-吡唑[3,4-b]吡啶-5-羧酸乙酯 、 2,4-二甲基苄胺 在 potassium hydroxide 、 三乙胺 、 N,N'-二异丙基碳二亚胺 作用下， 生成 GSK325971A
  参考文献：
  名称：

  The identification a novel, selective, non-steroidal, functional glucocorticoid receptor antagonist

  摘要：

  The identification of novel, potent, non-steroidal/small molecule functional GR antagonist GSK1564023A selective over PR is described. Associated structure-activity relationships and the process of optimisation of an initial HTS hit are also described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.133

文献信息

• PYRAZOLO [3,4- b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1740590A1

  公开（公告）日：2007-01-10
• Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors
  申请人：Cook Caroline Mary

  公开号：US20080275078A1

  公开（公告）日：2008-11-06

  The invention provides a compound of formula (I) or a salt thereof: wherein: R 1 is C 1-3 alkyl, C 1-3 fluoroalkyl, or —CH 2 CH 2 OH; R 2 is hydrogen, methyl or C 1 fluoroalkyl; R 3 is of sub-formula (aa) or (bb): wherein Y is NCONH 2 and n 1 is 0 or 1; R 4 is H; and R 5 is a group of the sub-formula (x), (y), (y1) or (z): These compounds are PDE4 inhibitors.
• [EN] PYRAZOLO[3,4-b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS<br/>[FR] COMPOSES DE PYRAZOLO[3,4-B] PYRIDINE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE PDE4
  申请人：GLAXO GROUP LTD

  公开号：WO2005090354A1

  公开（公告）日：2005-09-29

  The invention provides a compound of formula (I) or a salt thereof: formula (I) wherein: R1 is C1-3alkyl, C1-3fluoroalkyl, or -CH2CH2OH; R2 is a hydrogen atom (H), methyl or C1fluoroalkyl; R3 is of sub-formula (aa) or (bb): formulae (aa), (bb) wherein Y is NCONH2 and n1 is 0 or 1; R4 is H; and R5 is a group of the sub-formula (x), (y), (y1) or (z): formulae (x), (y), (y1), (z). The invention also relates to the use of these compounds or salts in therapy as inhibitors of phosphodiesterase type IV (PDE4). For example, it relates to their use in the treatment and/or prophylaxis of inflammatory and/or allergic diseases such as chronic obstructive pulmonary disease (COPD), asthma, rheumatoid arthritis, allergic rhinitis, psoriasis or atopic dermatitis in a mammal such as a human.
• The identification a novel, selective, non-steroidal, functional glucocorticoid receptor antagonist
  作者：Joseph Rimland、Angela Dunne、Suchete S. Hunjan、Rosemary Sasse、Iain Uings、Dino Montanari、Matilde Caivano、Poonam Shah、David Standing、David Gray、David Brown、William Cairns、Ryan Trump、Paul W. Smith、Nicolas Bertheleme、Pier D’Alessandro、Sheraz Gul、Mythily Vimal、David N. Smith、Stephen P. Watson

  DOI：10.1016/j.bmcl.2010.01.133

  日期：2010.4

  The identification of novel, potent, non-steroidal/small molecule functional GR antagonist GSK1564023A selective over PR is described. Associated structure-activity relationships and the process of optimisation of an initial HTS hit are also described. (C) 2010 Elsevier Ltd. All rights reserved.