N-hydroxy-N-[1-(5-chlorobenzo[b]fur-2-yl)ethyl] urea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: N-hydroxy-N-[1-(5-chlorobenzo[b]fur-2-yl)ethyl] urea
• 英文别名: N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-hydroxyurea；1-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-1-hydroxyurea
• 化学式: C₁₁H₁₁ClN₂O₃
• 分子量: 254.673
• InChiKey: BPZSEQWLJDZAQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  79.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(5-氯苯并[B]呋喃-2-基)-1-乙酮 生成 N-hydroxy-N-[1-(5-chlorobenzo[b]fur-2-yl)ethyl] urea
  参考文献：
  名称：

  SUMMERS, JAMES B. (JR);GUNN, BRUCE P.;BROOKS, DEE W.

  摘要：

  DOI：

文献信息

• Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease
  申请人：Robinson B. Cynthia

  公开号：US20050090455A1

  公开（公告）日：2005-04-28

  A pharmaceutical or veterinary composition, comprises a first active agent selected from a dehydroepiandrosterone and/or dehydroepiandrosterone-sulfate, or a salt thereof, and a second active agent comprising a lipoxygenase inhibitor for the treatment of asthma, chronic obstructive pulmonary disease, or other respiratory diseases. The composition is provided in various formulations and in the form of a kit. The products of this patent are applied to the prophylaxis and treatment of asthma, chronic obstructive pulmonary disease, or other respiratory diseases.

  一种药物或兽药组合物，包括从去氢表雄酮和/或去氢表雄酮硫酸盐中选择的第一活性成分，以及包括一种脂氧合酶抑制剂的第二活性成分，用于治疗哮喘、慢性阻塞性肺病或其他呼吸系统疾病。该组合物以各种配方形式提供，并以套装形式提供。该专利的产品用于预防和治疗哮喘、慢性阻塞性肺病或其他呼吸系统疾病。
• Pharmaceutical composition for treating multiple sclerosis
  申请人：Neu Ingo

  公开号：US20050020665A1

  公开（公告）日：2005-01-27

  Use of a compound of the general formula I and/or a pharmaceutically acceptable salt thereof as active ingredient for the preparation of a pharmaceutical composition for the treatment of multiple sclerosis in humans: wherein X represents NCH 3 , O or S. A represents an unsubstituted C 1-4 alkylene or a substituted C 1-4 alkylene that is mono- or poly-substituted with substituents independently selected from CH 3 , CH 2 CH 3 , CH 2 CH 2 CH 3 und CH(CH 3 ) 2 , M represents H; benzoyl; unsubstituted C 1-12 alkanoyl; substituted C 1-12 alkanoyl that is mono- or poly-substituted with substituents independently selected from CH 3 , CH 2 CH 3 , F and Cl; unsubstituted C 1-12 alkyl; or substituted C 1-12 alkyl that is mono- or poly-substituted with substituents independently selected from CH 3 , CH 2 CH 3 , F and Cl; R represents CH 3 , CH 2 CH 3 or NR 1 R 2 , wherein R 1 and R 2 independently represent H, CH 3 or CH 2 CH 3 , and Y 1 , Y 2 and Y 3 are independently selected from H, CH 3 , CH 2 CH 3 , F and Cl.

  将通式 I 的化合物和/或其药学上可接受的盐作为活性成分，用于制备治疗人类多发性硬化症的药物组合物： 其中 X 代表 NCH 3 、O 或 S。 A 代表未取代的 C 1-4 烯或取代的 C 1-4 烯，其取代基为单取代基或多取代基，取代基独立选自 CH 3 、CH 2 CH 3 , CH 2 CH 2 CH 3 和 CH(CH 3 ) 2 , M 代表 H；苯甲酰基；未取代的 C 1-12 烷酰基；取代的 C 1-12 取代的 C 1-12 烷酰基，该烷酰基被独立选自 CH 3 、CH 2 CH 3 、F 和 Cl；未取代的 C 1-12 烷基；或取代的 C 1-12 烷基，其取代基为单取代基或多取代基，取代基独立选自 CH 3 、CH 2 CH 3 F 和 Cl； R 代表 CH 3 、CH 2 CH 3 或 NR 1 R 2 其中 R 1 和 R 2 分别代表 H、CH 3 或 CH 2 CH 3 和 Y 1 , Y 2 和 Y 3 独立选自 H、CH 3 、CH 2 CH 3 F 和 Cl。
• Structure−Activity Relationships of <i>N</i>-Hydroxyurea 5-Lipoxygenase Inhibitors
  作者：Andrew O. Stewart、Pramila A. Bhatia、Jonathan G. Martin、James B. Summers、Karen E. Rodriques、Michael B. Martin、James H. Holms、Jimmie L. Moore、Richard A. Craig、Teodozyj Kolasa、James D. Ratajczyk、Hormoz Mazdiyasni、Francis A. J. Kerdesky、Shari L. DeNinno、Robert G. Maki、Jennifer B. Bouska、Patrick R. Young、Carmine Lanni、Randy L. Bell、George W. Carter、Clint D. W. Brooks

  DOI：10.1021/jm9700474

  日期：1997.6.1

  The discovery of second generation N-hydroxyurea 5-lipoxygenase inhibitors was accomplished through the development of a broad structure-activity relationship (SAR) study. This study identified requirements for improving potency and also extending duration by limiting metabolism. Potency could be maintained by the incorporation of heterocyclic templates substituted with selected lipophilic substituents. Duration of inhibition after oral administration was optimized by identification of structural features in the proximity of the N-hydroxyurea which correlated to low in vitro glucuronidation rates. Furthermore, the rate of in vitro glucuronidation was shown to be stereoselective for certain analogs. (R)-N-[3-[5-(4-Fluorophenoxy)-2-furyl]-1-methyl-2-propynyl]-N-hy- droxyurea (17c) was identified and selected for clinical development.
• Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds
  申请人：ABBOTT LABORATORIES

  公开号：EP0279263B1

  公开（公告）日：1993-08-04
• SUMMERS, JAMES B. (JR);GUNN, BRUCE P.;BROOKS, DEE W.
  作者：SUMMERS, JAMES B. (JR)、GUNN, BRUCE P.、BROOKS, DEE W.

  DOI：——

  日期：——