4-Fluoro-3-(3-morpholin-4-ylpropoxy)aniline | 1061378-46-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-Fluoro-3-(3-morpholin-4-ylpropoxy)aniline
• CAS: 1061378-46-8
• 化学式: C₁₃H₁₉FN₂O₂
• 分子量: 254.304
• InChiKey: CNCBFGCGSISTTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  47.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-Fluoro-3-(3-morpholin-4-ylpropoxy)aniline 、 异氰酸苯酯 以 氯仿 为溶剂， 生成 1-[4-fluoro-3-(3-morpholin-4-yl-propoxy)-phenyl]-3-phenyl-urea
  参考文献：
  名称：

  Unsymmetrical non-adamantyl N,N′-diaryl urea and amide inhibitors of soluble expoxide hydrolase

  摘要：

  Incorporation of an adamantyl group in prototypical soluble expoxide hydrolase (sEH) inhibitors afforded improved enzyme potency. We explored replacement of the adamantyl group in unsymmetrical ureas and amides with substituted aryl rings to identify equipotent and metabolically stable sEH inhibitors. We found that aryl rings, especially those substituted in the para position with a strongly electron withdrawing substituent, afforded enzyme IC50 values comparable to the adamantyl compounds in an ether substituted, unsymmetrical N,N'-diaryl urea or amide scaffold. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.102
• 作为产物：
  描述：

  tert-butyl (4-fluoro-3-(3-morpholinopropoxy)phenyl)carbamate 在 盐酸 、 磷酸 、 水 作用下， 反应 2.0h， 以92%的产率得到4-Fluoro-3-(3-morpholin-4-ylpropoxy)aniline
  参考文献：
  名称：

  Unsymmetrical non-adamantyl N,N′-diaryl urea and amide inhibitors of soluble expoxide hydrolase

  摘要：

  Incorporation of an adamantyl group in prototypical soluble expoxide hydrolase (sEH) inhibitors afforded improved enzyme potency. We explored replacement of the adamantyl group in unsymmetrical ureas and amides with substituted aryl rings to identify equipotent and metabolically stable sEH inhibitors. We found that aryl rings, especially those substituted in the para position with a strongly electron withdrawing substituent, afforded enzyme IC50 values comparable to the adamantyl compounds in an ether substituted, unsymmetrical N,N'-diaryl urea or amide scaffold. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.102

文献信息

• AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1
  申请人：HOLCOMB Ryan C.

  公开号：US20120238540A1

  公开（公告）日：2012-09-20

  The invention relates to certain amino-pyrimidine compounds that inhibit IKK epsilon and/or TBK1, methods of making such compounds, pharmaceutical compositions comprising such compounds, and the use of these compounds in treating a variety of diseases and disorders.

  本发明涉及一些氨基嘧啶化合物，可抑制IKK epsilon和/或TBK1，制备这种化合物的方法，包含这种化合物的药物组合物，以及在治疗各种疾病和疾病失调中使用这些化合物的方法。
• AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON
  申请人：Alzheimer's Institute of America

  公开号：US20150352108A1

  公开（公告）日：2015-12-10

  The invention relates to certain amino-pyrimidine compounds which inhibit TBK1 and/or IKK epsilon and which may therefore find application in treating inflammation, cancer, septic shock and/or Primary open Angle Glaucoma (POAG).

  该发明涉及某些氨基嘧啶化合物，其抑制TBK1和/或IKK epsilon，因此可能在治疗炎症、癌症、感染性休克和/或原发性开角青光眼（POAG）方面找到应用。