4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid 4-(3,5-dimethylisoxazol-4-yl)benzylamide | 1224440-81-6

• 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: 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid 4-(3,5-dimethylisoxazol-4-yl)benzylamide
• 英文别名: GSK1564023A；4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
• CAS: 1224440-81-6
• 化学式: C₂₁H₂₀ClN₅O₂
• 分子量: 409.875
• InChiKey: QWZQPWUWGYGVOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  85.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (4-(3,5-dimethylisoxazol-4-yl)phenyl)methanamine 、 1,3-二甲基-4-氯-1H-吡唑[3,4-B]并吡啶-5-甲酸乙酯 在 potassium hydroxide 、 三乙胺 、 N,N'-二异丙基碳二亚胺 作用下， 生成 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid 4-(3,5-dimethylisoxazol-4-yl)benzylamide
  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

• Inhibitors of glucocorticoid receptor translocation
  申请人：Sanford Burnham Prebys Medical Discovery Institute

  公开号：US10272074B2

  公开（公告）日：2019-04-30

  Provided herein are compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful as modulators of Glucocorticoid Receptor (GR) translocation. Furthermore, the subject compounds and compositions are useful for the treatment of diseases involved in the hypothalamic-pituitary-adrenal (HPA) axis.

  本文提供的是包含所述化合物的化合物和药物组合物。所述化合物和组合物可用作糖皮质激素受体（GR）转运的调节剂。此外，所述化合物和组合物还可用于治疗涉及下丘脑-垂体-肾上腺（HPA）轴的疾病。
• Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation
  申请人：Sanford-Burnham Medical Research Institute

  公开号：US20180207140A1

  公开（公告）日：2018-07-26

  Provided herein are compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful as modulators of Glucocorticoid Receptor (GR) translocation. Furthermore, the subject compounds and compositions are useful for the treatment of diseases involved in the hypothalamic-pituitary-adrenal (HPA) axis.
• [EN] PYRAZOLOPYRIMIDINES AS INHIBITORS OF GLUCOCORTICOID RECEPTOR TRANSLOCATION<br/>[FR] PYRAZOLOPYRIMIDINES UTILISÉES EN TANT QU'INHIBITEURS DE LA TRANSLOCATION DU RÉCEPTEUR DES GLUCOCORTICOÏDES
  申请人：SANFORD BURNHAM MED RES INST

  公开号：WO2016123392A2

  公开（公告）日：2016-08-04

  Provided herein are compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful as modulators of Glucocorticoid Receptor (GR) translocation. Furthermore, the subject compounds and compositions are useful for the treatment of diseases involved in the hypothalamic-pituitary-adrenal (HPA) axis.
• 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.