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