2-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanol | 1228148-80-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanol
• 英文别名: 2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol
• CAS: 1228148-80-8；271576-99-9
• 化学式: C₂₀H₂₂ClN₅O
• 分子量: 383.881
• InChiKey: HMORDCLVSQCEPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  77.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-[3-(4-chlorophenyl)-4-piperidin-4-yl-1H-pyrazol-5-yl]pyrimidine 、 羟乙醛 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 生成 2-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanol
  参考文献：
  名称：

  Identification of SD-0006, a potent diaryl pyrazole inhibitor of p38 MAP kinase

  摘要：

  Starting from an initial HTS screening lead, a novel series of C(5)-substituted diaryl pyrazoles were developed that showed potent inhibition of p38 alpha kinase. Key to this outcome was the switch from a pyridyl to pyrimidine at the C(4)-position leading to analogs that were potent in human whole blood based cell assay as well as in a number of animal efficacy models for rheumatoid arthritis. Ultimately, we identified a clinical candidate from this substrate; SD-0006. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.047

文献信息

• Substituted pyrazoles as p38 kinase inhibitors
  申请人：Naraian S. Ashok

  公开号：US20070078146A1

  公开（公告）日：2007-04-05

  A class of pyrazole derivatives is described for use in treating p38 kinase medicated disorders. Compounds of particular interest are defined by Formula IA wherein R 1 , R 2 , R 3 and R 4 are as described in the specification.

  描述了一类吡唑衍生物，用于治疗p38激酶介导的疾病。特别感兴趣的化合物由公式IA定义，其中R1、R2、R3和R4如规范中所述。