2-Methyl-4-morpholin-4-ylsulfonylaniline | 99982-41-9

• 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: 2-Methyl-4-morpholin-4-ylsulfonylaniline
• CAS: 99982-41-9
• 化学式: C₁₁H₁₆N₂O₃S
• mdl: MFCD03001415
• 分子量: 256.326
• InChiKey: HWNWWOGWXCJXCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  81
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Methyl-4-morpholin-4-ylsulfonylaniline 、 异氰酸苯酯 以 四氢呋喃 为溶剂， 以37%的产率得到1-(2-Methyl-4-(morpholinosulfonyl)phenyl)-3-phenylurea
  参考文献：
  名称：

  Discovery of potent, selective sulfonylfuran urea endothelial lipase inhibitors

  摘要：

  Endothelial lipase (EL) activity has been implicated in HDL catabolism, vascular inflammation, and atherogenesis, and inhibitors are therefore expected to be useful for the treatment of cardiovascular disease. Sulfonylfuran urea 1 was identified in a high-throughput screening campaign as a potent and non-selective EL inhibitor. A lead optimization effort was undertaken to improve potency and selectivity, and modifications leading to improved LPL selectivity were identified. Radiolabeling studies were undertaken to establish the mechanism of action for these inhibitors, which were ultimately demonstrated to be irreversible inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.033
• 作为产物：
  描述：

  吗啉 、 C₂₂H₁₈ClNO₄S 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以60%的产率得到2-Methyl-4-morpholin-4-ylsulfonylaniline
  参考文献：
  名称：

  Discovery of potent, selective sulfonylfuran urea endothelial lipase inhibitors

  摘要：

  Endothelial lipase (EL) activity has been implicated in HDL catabolism, vascular inflammation, and atherogenesis, and inhibitors are therefore expected to be useful for the treatment of cardiovascular disease. Sulfonylfuran urea 1 was identified in a high-throughput screening campaign as a potent and non-selective EL inhibitor. A lead optimization effort was undertaken to improve potency and selectivity, and modifications leading to improved LPL selectivity were identified. Radiolabeling studies were undertaken to establish the mechanism of action for these inhibitors, which were ultimately demonstrated to be irreversible inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.033

文献信息

• [EN] BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE<br/>[FR] BENZOPHENONES AGISSANT COMME INHIBITEURS DE LA TRANSCRIPTASE INVERSE
  申请人：GLAXO GROUP LTD

  公开号：WO2001017982A1

  公开（公告）日：2001-03-15

  The present invention includes benzophenone compounds (I) which are useful in the treatment of HIV infections.

  本发明包括苯甲酮化合物（I），其在治疗HIV感染方面具有用处。
• Benzophenones as inhibitors of reverse transcriptase
  申请人：GLAXO GROUP LIMITED

  公开号：EP1710238A1

  公开（公告）日：2006-10-11

  The present invention includes benzophenone compounds (I) which are useful in the treatment of HIV infections.

  本发明包括二苯甲酮化合物 (I)，它们可用于 治疗艾滋病病毒感染。
• BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE
  申请人：GLAXO GROUP LIMITED

  公开号：EP1208091A1

  公开（公告）日：2002-05-29
• US7273863B1
  申请人：——

  公开号：US7273863B1

  公开（公告）日：2007-09-25
• Discovery of potent, selective sulfonylfuran urea endothelial lipase inhibitors
  作者：Krista B. Goodman、Michael J. Bury、Mui Cheung、Maria A. Cichy-Knight、Sarah E. Dowdell、Allison K. Dunn、Dennis Lee、Jeffrey A. Lieby、Michael L. Moore、Daryl A. Scherzer、Deyou Sha、Dominic P. Suarez、Dennis J. Murphy、Mark R. Harpel、Eric S. Manas、Dean E. McNulty、Roland S. Annan、Rosalie E. Matico、Benjamin K. Schwartz、John J. Trill、Thomas D. Sweitzer、Da-yuan Wang、Paul M. Keller、John A. Krawiec、Michael C. Jaye

  DOI：10.1016/j.bmcl.2008.11.033

  日期：2009.1

  Endothelial lipase (EL) activity has been implicated in HDL catabolism, vascular inflammation, and atherogenesis, and inhibitors are therefore expected to be useful for the treatment of cardiovascular disease. Sulfonylfuran urea 1 was identified in a high-throughput screening campaign as a potent and non-selective EL inhibitor. A lead optimization effort was undertaken to improve potency and selectivity, and modifications leading to improved LPL selectivity were identified. Radiolabeling studies were undertaken to establish the mechanism of action for these inhibitors, which were ultimately demonstrated to be irreversible inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.