methyl-3-[(5-chloro-3-nitro-2-pyridinyl)oxy]benzoate | 941699-04-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl-3-[(5-chloro-3-nitro-2-pyridinyl)oxy]benzoate
• 英文别名: Methyl 3-(5-chloro-3-nitropyridin-2-yl)oxybenzoate
• CAS: 941699-04-3
• 化学式: C₁₃H₉ClN₂O₅
• 分子量: 308.678
• InChiKey: UFGOQWRSDZCAJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  94.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl-3-[(5-chloro-3-nitro-2-pyridinyl)oxy]benzoate 在 platinum on activated charcoal 、 甲酸铵 作用下， 以 二氯甲烷 为溶剂， 生成 methyl 3-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate
  参考文献：
  名称：

  Identification of a sulfonamide series of CCR2 antagonists

  摘要：

  A series of sulfonamide CCR2 antagonists was identified by high-throughput screening. Management of molecular weight and physical properties, in particular moderation of lipophilicity and study of pK(a), yielded highly potent CCR2 antagonists exhibiting good pharmacokinetic properties and improved potency in the presence of human plasma. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.142
• 作为产物：
  描述：

  3-羟基苯甲酸甲酯 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl-3-[(5-chloro-3-nitro-2-pyridinyl)oxy]benzoate
  参考文献：
  名称：

  Identification of a sulfonamide series of CCR2 antagonists

  摘要：

  A series of sulfonamide CCR2 antagonists was identified by high-throughput screening. Management of molecular weight and physical properties, in particular moderation of lipophilicity and study of pK(a), yielded highly potent CCR2 antagonists exhibiting good pharmacokinetic properties and improved potency in the presence of human plasma. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.142

文献信息

• Pyridinyl Sulfonamide Modulators of Chemokine Receptors
  申请人：Cleary Pamela A.

  公开号：US20080293720A1

  公开（公告）日：2008-11-27

  The present invention relates to compounds of following formula: or pharmaceutically acceptable salts thereof; pharmaceutical compositions containing them, and their use in the treatment of disorders mediated by the CCR-2 receptor.

  本发明涉及以下式的化合物：或其药学上可接受的盐；含有它们的药物组合物，以及它们在治疗由CCR-2受体介导的疾病中的应用。
• Identification of a sulfonamide series of CCR2 antagonists
  作者：Simon Peace、Joanne Philp、Carl Brooks、Val Piercy、Kitty Moores、Chris Smethurst、Steve Watson、Simon Gaines、Mara Zippoli、Claudette Mookherjee、Robert Ife

  DOI：10.1016/j.bmcl.2010.04.142

  日期：2010.7

  A series of sulfonamide CCR2 antagonists was identified by high-throughput screening. Management of molecular weight and physical properties, in particular moderation of lipophilicity and study of pK(a), yielded highly potent CCR2 antagonists exhibiting good pharmacokinetic properties and improved potency in the presence of human plasma. (C) 2010 Elsevier Ltd. All rights reserved.