N-[2-甲基-5-(1-哌啶基磺酰基)-3-呋喃基]-N'-苯基脲 | 685506-42-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-[2-甲基-5-(1-哌啶基磺酰基)-3-呋喃基]-N'-苯基脲
• 英文名称: N-[2-methyl-5-(1-piperidinylsulfonyl)-3-furanyl]-N'-phenylurea
• 英文别名: 3-[2-Methyl-5-(piperidine-1-sulfonyl)furan-3-yl]-1-phenylurea；1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea
• CAS: 685506-42-7
• 化学式: C₁₇H₂₁N₃O₄S
• 分子量: 363.437
• InChiKey: LVOVQRPAMXCXTM-UHFFFAOYSA-N

物化性质

• 密度：
  1.375±0.06 g/cm3(Predicted)
• 溶解度：
  在 DMSO 中溶解度为 100 mM，在乙醇中溶解度为 10 mM

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-甲基-5-(哌啶磺酰基)-3-糠酸 、 苯胺 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成 2-methyl-N-phenyl-5-(piperidin-1-ylsulfonyl)furan-3-carboxamide 、 N-[2-甲基-5-(1-哌啶基磺酰基)-3-呋喃基]-N'-苯基脲
  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

• FUNCTIONALIZED FURAN-2-SULFONAMIDES EXHIBITING ENDOTHELIAL LIPASE INHIBITION
  申请人：TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

  公开号：US20160257672A1

  公开（公告）日：2016-09-08

  The present invention relates to pharmaceutical compositions comprising furan-2-sulfonamide derivatives. The present invention further relates to methods of treatment of diseases or conditions associated with endothelial lipase activity, including coronary artery disease and low HDL-C.
• [EN] METHODS AND KITS FOR THE PROGNOSIS OF COLORECTAL CANCER<br/>[ES] MÉTODOS Y KITS PARA EL PRONÓSTICO DEL CÁNCER COLORRECTAL<br/>[FR] MÉTHODES ET KITS POUR LE PRONOSTIC DU CANCER COLORECTAL
  申请人：FUNDACIÓN IMDEA ALIMENTACIÓN

  公开号：WO2014091048A1

  公开（公告）日：2014-06-19

  La invención se refiere a los métodos para predecir el riesgo de recaída de los pacientes con cáncer colorrectal, así como a los métodos para proporcionar medicina personalizada a dichos pacientes, basándose en los niveles de expresión de los genes ACSL1, ACSL4, GCNT3, LPL, APOC1y SCD, cuyos productos de expresión están implicados en el metabolismo energético celular. La invención también se refiere a los kits para llevar a cabo los métodos predictivos y de medicina predictiva.
• [EN] FUNCTIONALIZED FURAN-2-SULFONAMIDES EXHIBITING ENDOTHELIAL LIPASE INHIBITION<br/>[FR] FURANE-2-SULFONAMIDES FONCTIONNALISÉS POUVANT INHIBER LA LIPASE ENDOTHÉLIALE
  申请人：UNIV TEMPLE

  公开号：WO2015054117A1

  公开（公告）日：2015-04-16

  The present invention relates to pharmaceutical compositions comprising furan-2-sulfonamide derivatives. The present invention further relates to methods of treatment of diseases or conditions associated with endothelial lipase activity, including coronary artery disease and low HDL-C.