4-[(2S,3S,5R)-5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-(quinoxaline-2-carbonylamino)nonan-3-yl]oxy-4-oxobutanoic acid

• 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: 4-[(2S,3S,5R)-5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-(quinoxaline-2-carbonylamino)nonan-3-yl]oxy-4-oxobutanoic acid
• 化学式: C₃₀H₃₅FN₄O₇
• 分子量: 582.6
• InChiKey: HLXFYKMOWJLJKF-VPHKFGTKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  42
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  182
• 氢给体数：
  4
• 氢受体数：
  10

文献信息

• Heteroaryl-hexanoic acid amide derivatives as immonomodulatory agents
  申请人：Pfizer Inc

  公开号：US20040097554A1

  公开（公告）日：2004-05-20

  The present invention relates to compounds of the formula (I) 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 7 , and L are as described in the specification. The present invention also relates to pharmaceutical compositions that include compounds of the formula (I) and a pharmaceutically acceptable carrier. Moreover, the present invention relates to methods of using the above-described compounds and compositions to treat and prevent diseases and conditions including those that may be treated or prevented by antagonizing the CCR1 receptor.

  本发明涉及式(I)的化合物1，其中R1、R2、R3、R4、R5、R7和L如规范中所述。本发明还涉及包括式(I)的化合物和药学上可接受的载体的制药组合物。此外，本发明涉及使用上述化合物和组合物治疗和预防疾病和病症的方法，包括那些通过拮抗CCR1受体可以治疗或预防的疾病和病症。