5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-2-yl-1H-pyrazole-3-carboxylic acid | 583850-53-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-2-yl-1H-pyrazole-3-carboxylic acid
• 英文别名: 5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid
• CAS: 583850-53-7
• 化学式: C₂₁H₁₃Cl₂N₃O₂
• 分子量: 410.259
• InChiKey: WEHXTYFZRAPTMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-2-yl-1H-pyrazole-3-carboxylic acid 在 叠氮基三甲基硅烷 、 氨 、 二正丁基氧化锡 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三氯氧磷 作用下， 生成 2-[5-[4-(2,4-dichlorophenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazol-1-yl]pyridine
  参考文献：
  名称：

  Discovery of a potent and selective series of pyrazole bacterial methionyl-tRNA synthetase inhibitors

  摘要：

  Starting with a micromolar lead identified from high-throughput screening, a series of pyrazoles were discovered with significanty improved potency on bacterial methionyl-tRNA synthetase and selectivity over human methionyl-tRNA synthetase. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00298-1
• 作为产物：
  描述：

  Methyl-2,4-dichlorbiphenylyl-keton 在 sodium hydroxide 、 氢气 、 lithium hexamethyldisilazane 作用下， 以 乙醇 为溶剂， 生成 5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-2-yl-1H-pyrazole-3-carboxylic acid
  参考文献：
  名称：

  Discovery of a potent and selective series of pyrazole bacterial methionyl-tRNA synthetase inhibitors

  摘要：

  Starting with a micromolar lead identified from high-throughput screening, a series of pyrazoles were discovered with significanty improved potency on bacterial methionyl-tRNA synthetase and selectivity over human methionyl-tRNA synthetase. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00298-1

文献信息

• INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF
  申请人：Whitman Malcolm

  公开号：US20120058133A1

  公开（公告）日：2012-03-08

  The present invention provides novel methods for modulating Th 17-mediated immune responses using aminoacyl tRNA synthetase inhibitors. Inhibition of aminoacyl tRNA synthetase inhibitors activates an amino acid starvation response (AAR) and can produce beneficial therapeutic effects. In some embodiments, aminoacyl tRNA synthetase inhibitors are used to treat disorders such as autoimmune diseases, graft rejection, infections, fibrosis, and inflammatory diseases.