N-(2-(benzyloxy)phenyl)methanesulfonamide | 1289485-65-9

• 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: N-(2-(benzyloxy)phenyl)methanesulfonamide
• 英文别名: N-(2-phenylmethoxyphenyl)methanesulfonamide
• CAS: 1289485-65-9
• 化学式: C₁₄H₁₅NO₃S
• 分子量: 277.344
• InChiKey: ZLDPIRGYHGUICR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(2-(benzyloxy)phenyl)methanesulfonamide 、 4-(3-(bromomethyl)phenyl)-4-methoxytetrahydro-2H-pyran 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以77%的产率得到N-(2-(benzyloxy)phenyl)-N-(3-(4-methoxytetrahydro-2H-pyran-4-yl)benzyl)methanesulfonamide
  参考文献：
  名称：

  Syntheses and characterization of nimesulide derivatives for dual enzyme inhibitors of both cyclooxygenase-1/2 and 5-lipoxygenase

  摘要：

  Cyclooxygenase-1/2 (COX-1/2) and 5-lipoxygenase (5-LOX) are enzymes in two different pathways in the inflammatory process. In the present study, a variety of new nimesulide derivatives were synthesized through incorporation of a 5-LOX pharmacophore into nimesulide followed with some structural modifications, which were then characterized for dual enzyme inhibitors for these two types of enzymes. Their structure-activity relationships (SARs) were studied, and compound 20f was found to be an excellent dual enzyme inhibitor. Its binding conformation and interaction mode were studied with molecular docking experiments. Compound 20f could become a lead compound for further development for potential anti-inflammatory drugs. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.01.043
• 作为产物：
  描述：

  2-(2-羟基苯基)异吲哚-1,3-二酮 在 吡啶 、 水 、 potassium carbonate 、 肼 作用下， 以 乙醇 、 二氯甲烷 、 丙酮 为溶剂， 反应 6.0h， 生成 N-(2-(benzyloxy)phenyl)methanesulfonamide
  参考文献：
  名称：

  Syntheses and characterization of nimesulide derivatives for dual enzyme inhibitors of both cyclooxygenase-1/2 and 5-lipoxygenase

  摘要：

  Cyclooxygenase-1/2 (COX-1/2) and 5-lipoxygenase (5-LOX) are enzymes in two different pathways in the inflammatory process. In the present study, a variety of new nimesulide derivatives were synthesized through incorporation of a 5-LOX pharmacophore into nimesulide followed with some structural modifications, which were then characterized for dual enzyme inhibitors for these two types of enzymes. Their structure-activity relationships (SARs) were studied, and compound 20f was found to be an excellent dual enzyme inhibitor. Its binding conformation and interaction mode were studied with molecular docking experiments. Compound 20f could become a lead compound for further development for potential anti-inflammatory drugs. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.01.043

文献信息

• Triazol Derivatives Useful For The Treatment of Diseases
  申请人：Jones Lyn Howard

  公开号：US20100010040A1

  公开（公告）日：2010-01-14

  The invention relates to compounds of formula (1) and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The compounds according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  这项发明涉及到式（1）的化合物，以及用于制备、用于制备的中间体、含有这些衍生物的组合物以及这些衍生物的用途的过程。根据本发明的化合物在许多疾病、紊乱和状况中具有用途，特别是在炎症性、过敏性和呼吸系统疾病、紊乱和状况中。
• PHENOXYPROPANOLAMINES, PROCEDE POUR LEUR PREPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：SANOFI-SYNTHELABO

  公开号：EP1242083A1

  公开（公告）日：2002-09-25
• US8263623B2
  申请人：——

  公开号：US8263623B2

  公开（公告）日：2012-09-11
• [EN] PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] PHENOXYPROPANOLAMINES, PROCEDE POUR LEUR PREPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：SANOFI SYNTHELABO

  公开号：WO2001043744A1

  公开（公告）日：2001-06-21

  L'invention concerne des composés de formule (I) où R1 représente un atome d'hydrogène ou d'halogène, un groupe -S(O)Z-(C1-C4)alkyle, -S(O)Z-(C1-C4)R3, -SO2-NH-(C1-C4)alkyle, -NHCO(C1-C4)alkyle, -CO(C1-C4)alkyle ou -NHSO2-(C1-C4)alkyle; m et n représentent indépendamment 0, 1 ou 2; A représente un groupe de formule (a) ou (b): où X est N ou CH; et leurs sels ou solvates, un procédé pour leur préparation des intermédiaires de synthèse et les compositions pharmaceutiques les contenant.
• Syntheses and characterization of nimesulide derivatives for dual enzyme inhibitors of both cyclooxygenase-1/2 and 5-lipoxygenase
  作者：Yue Li、Shu-Han Chen、Tian-Miao Ou、Jia-Heng Tan、Ding Li、Lian-Quan Gu、Zhi-Shu Huang

  DOI：10.1016/j.bmc.2011.01.043

  日期：2011.3

  Cyclooxygenase-1/2 (COX-1/2) and 5-lipoxygenase (5-LOX) are enzymes in two different pathways in the inflammatory process. In the present study, a variety of new nimesulide derivatives were synthesized through incorporation of a 5-LOX pharmacophore into nimesulide followed with some structural modifications, which were then characterized for dual enzyme inhibitors for these two types of enzymes. Their structure-activity relationships (SARs) were studied, and compound 20f was found to be an excellent dual enzyme inhibitor. Its binding conformation and interaction mode were studied with molecular docking experiments. Compound 20f could become a lead compound for further development for potential anti-inflammatory drugs. (C) 2011 Elsevier Ltd. All rights reserved.