1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine | 949899-78-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
• 英文别名: 1-(2-Chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
• CAS: 949899-78-9
• 化学式: C₁₂H₁₂ClN₃
• 分子量: 233.7
• InChiKey: IWFZQBWRBRXDLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine 、 2,6-二氯苯甲酰氯 在 (iPr)2EtNH₂ 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 (1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(2,6-dichlorophenyl)methanone
  参考文献：
  名称：

  Synthesis and SAR of p38α MAP kinase inhibitors based on heterobicyclic scaffolds

  摘要：

  The synthesis and structure-activity relationships (SAR) of p38 alpha MAP kinase inhibitors based on heterobicyclic scaffolds are described. This effort led to the identification of compound (21) as a potent inhibitor of p38a MAP kinase with good cellular potency toward the inhibition of TNF-alpha production. X-ray co-crystallography of an oxalamide analog (24) bound to unphosphorylated p38 alpha is also disclosed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.029
• 作为产物：
  描述：

  Tert-butyl 1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以100%的产率得到1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
  参考文献：
  名称：

  Synthesis and SAR of p38α MAP kinase inhibitors based on heterobicyclic scaffolds

  摘要：

  The synthesis and structure-activity relationships (SAR) of p38 alpha MAP kinase inhibitors based on heterobicyclic scaffolds are described. This effort led to the identification of compound (21) as a potent inhibitor of p38a MAP kinase with good cellular potency toward the inhibition of TNF-alpha production. X-ray co-crystallography of an oxalamide analog (24) bound to unphosphorylated p38 alpha is also disclosed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.029

文献信息

• HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS
  申请人：Dhar T.G. Murali

  公开号：US20080275052A1

  公开（公告）日：2008-11-06

  A compound of Formula (I) and enantiomers, diastereomers and pharmaceutically-acceptable salts thereof. Also disclosed are pharmaceutical compositions containing compounds of Formula I, and methods of treating conditions associated with the activity of p38 kinase.

  一种由化合物（I）及其对映体、非对映体异构体和药用可接受的盐组成的复合物。还公开了含有化合物（I）的药物组合物，以及治疗与p38激酶活性相关疾病的方法。
• US7943617B2
  申请人：——

  公开号：US7943617B2

  公开（公告）日：2011-05-17
• US8309571B2
  申请人：——

  公开号：US8309571B2

  公开（公告）日：2012-11-13
• Synthesis and SAR of p38α MAP kinase inhibitors based on heterobicyclic scaffolds
  作者：T.G. Murali Dhar、Stephen T. Wrobleski、Shuqun Lin、Joseph A. Furch、David S. Nirschl、Yi Fan、Gordon Todderud、Sidney Pitt、Arthur M. Doweyko、John S. Sack、Arvind Mathur、Murray McKinnon、Joel C. Barrish、John H. Dodd、Gary L. Schieven、Katerina Leftheris

  DOI：10.1016/j.bmcl.2007.07.029

  日期：2007.9

  The synthesis and structure-activity relationships (SAR) of p38 alpha MAP kinase inhibitors based on heterobicyclic scaffolds are described. This effort led to the identification of compound (21) as a potent inhibitor of p38a MAP kinase with good cellular potency toward the inhibition of TNF-alpha production. X-ray co-crystallography of an oxalamide analog (24) bound to unphosphorylated p38 alpha is also disclosed. (c) 2007 Elsevier Ltd. All rights reserved.