Quinoxaline-2-carboxylic Acid {1(S)-[4(R)-(3-fluoro-3-methyl-butyl)-5-oxo-tetrahydro-furan-2(S)-yl]-2-phenyl-ethyl}-amide | 212790-56-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: Quinoxaline-2-carboxylic Acid {1(S)-[4(R)-(3-fluoro-3-methyl-butyl)-5-oxo-tetrahydro-furan-2(S)-yl]-2-phenyl-ethyl}-amide
• 英文别名: N-[(1S)-1-[(2S,4R)-4-(3-fluoro-3-methylbutyl)-5-oxooxolan-2-yl]-2-phenylethyl]quinoxaline-2-carboxamide
• CAS: 212790-56-2
• 化学式: C₂₆H₂₈FN₃O₃
• 分子量: 449.525
• InChiKey: IZYIQBNCMWCICH-JZWVFAODSA-N

物化性质

• 沸点：
  700.4±50.0 °C(Predicted)
• 密度：
  1.213±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  81.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Quinoxaline-2-carboxylic Acid {1(S)-[4(R)-(3-fluoro-3-methyl-butyl)-5-oxo-tetrahydro-furan-2(S)-yl]-2-phenyl-ethyl}-amide 在 羟胺 作用下， 以 甲醇 为溶剂， 生成 quinoxaline-2-carboxylic acid (1(S)-benzyl-7-fluoro-2(S)-hydroxy-4(R)-hydroxycarbamoyl-7-methyl-octyl)-amide
  参考文献：
  名称：

  Novel CCR1 antagonists with improved metabolic stability

  摘要：

  The synthesis, biological activity, and pharmacokinetic profile of novel CCR1 antagonists are described. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.022
• 作为产物：
  描述：

  {(S)-1-[(2S,4R)-4-(3-Methyl-but-2-enyl)-5-oxo-tetrahydro-furan-2-yl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester 在 TEA 、 氟化氢吡啶 作用下， 以 二氯甲烷 、 苯 为溶剂， 生成 Quinoxaline-2-carboxylic Acid {1(S)-[4(R)-(3-fluoro-3-methyl-butyl)-5-oxo-tetrahydro-furan-2(S)-yl]-2-phenyl-ethyl}-amide
  参考文献：
  名称：

  Novel CCR1 antagonists with improved metabolic stability

  摘要：

  The synthesis, biological activity, and pharmacokinetic profile of novel CCR1 antagonists are described. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.022

文献信息

• Novel Hexanoic acid derivatives
  申请人：——

  公开号：US20020198207A1

  公开（公告）日：2002-12-26

  Compounds of the formula 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as described in the specification are useful to treat inflammation and other immune disorders.

  公式1的化合物，其中R1、R2、R3、R4、R5和R6如规范所述，可用于治疗炎症和其他免疫性疾病。
• Methods of using CCR1 antagonists as immunomodulatory agents
  申请人：Pfizer Inc

  公开号：US20040087571A1

  公开（公告）日：2004-05-06

  The present invention relates to methods of using CCR1 antagonists as immunomodulatory agents. In particular, the present invention relates to methods of using heteroaryl-hexanoic acid amide derivatives of the formula (I) 1 wherein R 1 , R 2 , R 3 , and Y are as described in the specification.

  本发明涉及使用CCR1拮抗剂作为免疫调节剂的方法。具体而言，本发明涉及使用式(I)的杂环基-己酸酰胺衍生物的方法，其中R1、R2、R3和Y如规范中所述。
• Heteroaryl-hexanoic acid amide derivatives, their preparation and their use as selective inhibitors of MIP-1-&agr; binding to its CCR 1 receptor
  申请人：Pfizer Inc.

  公开号：US06403587B1

  公开（公告）日：2002-06-11

  Compounds of the formula wherein R1, R2, R3, R4, R5 and R6 are as described in the specification are useful to treat inflammation and other immune disorders.

  式中R1、R2、R3、R4、R5和R6所述的化合物对于治疗炎症和其他免疫性疾病是有用的。
• Novel CCR1 antagonists with improved metabolic stability
  作者：Matthew F Brown、Mike Avery、William H Brissette、J.H Chang、Kevin Colizza、Maryrose Conklyn、Amy P DiRico、Ronald P Gladue、John C Kath、Suzanne S Krueger、Paul D Lira、Brett M Lillie、Greg D Lundquist、Erin N Mairs、Eric B McElroy、Molly A McGlynn、Timothy J Paradis、Christopher S Poss、Michelle I Rossulek、Richard M Shepard、Jeff Sims、Timothy J Strelevitz、Susan Truesdell、Laurie A Tylaska、Kwansik Yoon、Deye Zheng

  DOI：10.1016/j.bmcl.2004.02.022

  日期：2004.5

  The synthesis, biological activity, and pharmacokinetic profile of novel CCR1 antagonists are described. (C) 2004 Elsevier Ltd. All rights reserved.