3-phenoxyphenylacetamide | 96475-61-5

• 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: 3-phenoxyphenylacetamide
• 英文别名: 2-(3-phenoxyphenyl)acetamide
• CAS: 96475-61-5
• 化学式: C₁₄H₁₃NO₂
• 分子量: 227.263
• InChiKey: AHCZRGFZVJHTFH-UHFFFAOYSA-N

物化性质

• 沸点：
  425.8±38.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-phenoxyphenylacetamide 、 methyl 2-(1-(3-((tert-butoxycarbonyl)amino)propyl)-1H-indol-3-yl)-2-oxoacetate 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl (3-(3-(2,5-dioxo-4-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl)carbamate
  参考文献：
  名称：

  Aryl–indolyl maleimides as inhibitors of CaMKIIδ. Part 1: SAR of the aryl region

  摘要：

  A family of aryl-substituted maleimides was prepared and studied for their activity against calmodulin dependant kinase. Inhibitory activities against the enzyme ranged from 34 nM to > 20 mu M and were dependant upon both the nature of the aryl group and the hydrogen bond donating potential of the maleimide ring. Key interactions with the kinase ATP site and hinge region were found to be consistent with homology modeling predictions. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.059
• 作为产物：
  描述：

  3-苯氧基苯乙酸 在 氨 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 3-phenoxyphenylacetamide
  参考文献：
  名称：

  Aryl–indolyl maleimides as inhibitors of CaMKIIδ. Part 1: SAR of the aryl region

  摘要：

  A family of aryl-substituted maleimides was prepared and studied for their activity against calmodulin dependant kinase. Inhibitory activities against the enzyme ranged from 34 nM to > 20 mu M and were dependant upon both the nature of the aryl group and the hydrogen bond donating potential of the maleimide ring. Key interactions with the kinase ATP site and hinge region were found to be consistent with homology modeling predictions. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.059

文献信息

• Heterocyclic antiviral compounds
  申请人：Dunn Patrick James

  公开号：US20060025462A1

  公开（公告）日：2006-02-02

  The present invention relates to a compounds according to formula I, methods for treating diseases mediated by human immunodeficieny virus by administration of a compound according to formula I and pharmaceutical compositions for treating diseases mediated by human immunodeficieny virus containing a compound according to formula I where R 1 , R 2 , R 3 , R 4 , R 5 , are as defined herein.

  本发明涉及一种符合式I的化合物，通过给予符合式I的化合物治疗由人类免疫缺陷病毒介导的疾病的方法，以及用于治疗由人类免疫缺陷病毒介导的疾病的药物组合物，其中R1、R2、R3、R4、R5如本文所定义。
• HETEROCYCLIC ANTIVIRAL COMPOUNDS
  申请人：Dunn James Patrick

  公开号：US20110207688A1

  公开（公告）日：2011-08-25

  The present invention relates to a method of treating an HIV-I infection with a compound according to formula I where R 1 , R 2 , R 3 , R 4 , R 5 , are as defined herein.

  本发明涉及使用符合式I的化合物治疗HIV-I感染的方法，其中R1、R2、R3、R4、R5如本文所定义。
• SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE
  申请人：Smith D. Charles

  公开号：US20070032531A1

  公开（公告）日：2007-02-08

  The invention relates to compounds, pharmaceutical compositions thereof, and methods for inhibiting sphingosine kinase and for treating or preventing hyperproliferative disease, inflammatory disease, or angiogenic disease,

  这项发明涉及化合物、其药物组合物以及抑制鞘氨醇激酶并治疗或预防过度增殖性疾病、炎症性疾病或血管生成性疾病的方法。
• Non-nucleoside reverse transcriptase inhibitors
  申请人：Dunn Patrick James

  公开号：US20050239881A1

  公开（公告）日：2005-10-27

  The present invention provides compounds for treating or preventing an HIV infection, or treating AIDS or ARC comprising administering a compound according to formula I where Ar, R 1 -R 5 , R 7a , R 7b , R 7c , R 8 -R 10 , X 1 , X 2 m, n, o and p are as defined herein.

  本发明提供了用于治疗或预防HIV感染，治疗艾滋病或ARC的化合物，包括根据以下公式I给予化合物，其中Ar，R1-R5，R7a，R7b，R7c，R8-R10，X1，X2m，n，o和p如本文所定义。
• COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER
  申请人：ArQule, Inc.

  公开号：US20150328208A1

  公开（公告）日：2015-11-19

  The present invention provides methods of treating a cell proliferative disorder, such as a cancer, by administering to a subject in need thereof a therapeutically effective amount of a pyrroloquinolinyl-pyrrole-2,5-dione compound or a pyrroloquinolinyl-pyrrolidine-2,5-dione compound in combination with a therapeutically effective amount of a second anti-proliferative agent.

  本发明提供了治疗细胞增殖紊乱（如癌症）的方法，通过向需要的受试者投予一种吡啶喹啉基吡咯-2,5-二酮化合物或吡啶喹啉基吡咯啉-2,5-二酮化合物的治疗有效量，与第二种抗增殖剂的治疗有效量结合使用。