N-[2-(tert-Butyl-diphenyl-silanyloxy)-5-((S)-1-oxiranylmethoxy)-phenyl]-methanesulfonamide | 392690-83-4

• 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-(tert-Butyl-diphenyl-silanyloxy)-5-((S)-1-oxiranylmethoxy)-phenyl]-methanesulfonamide
• 英文别名: N-[2-[tert-butyl(diphenyl)silyl]oxy-5-[[(2S)-oxiran-2-yl]methoxy]phenyl]methanesulfonamide
• CAS: 392690-83-4
• 化学式: C₂₆H₃₁NO₅SSi
• 分子量: 497.687
• InChiKey: ONLOKLBGVJBWPC-OAQYLSRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.77
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  85.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-[2-(tert-Butyl-diphenyl-silanyloxy)-5-((S)-1-oxiranylmethoxy)-phenyl]-methanesulfonamide 在 四丁基氟化铵 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 N-(5-{(2S)-3-[(1-{4-[3-(2,5-Difluoro-benzyl)-ureido]-benzenesulfonyl}-piperidin-4-ylmethyl)-amino]-2-hydroxy-propoxy}-2-hydroxy-phenyl)-methanesulfonamide
  参考文献：
  名称：

  Novel substituted 4-aminomethylpiperidines as potent and selective human β3-agonists. Part 1: aryloxypropanolaminomethylpiperidines

  摘要：

  The synthesis and SAR of a series of human beta(3) adrenoreceptor agonists based on a template derived from a common pharmacophore coupled with 4-aminomethylpiperidine is described. Potent and selective agents were identified such as 26 that was in vitro active in CHO cells expressing human beta(3)-AR (EC50 = 49 nNl, IA = 1.1), and in vivo active in a transgenic mouse model. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00607-8
• 作为产物：
  描述：

  (R)-缩水甘油 、 N-[2-(tert-Butyl-diphenyl-silanyloxy)-5-hydroxy-phenyl]-methanesulfonamide 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 生成 N-[2-(tert-Butyl-diphenyl-silanyloxy)-5-((S)-1-oxiranylmethoxy)-phenyl]-methanesulfonamide
  参考文献：
  名称：

  Novel substituted 4-aminomethylpiperidines as potent and selective human β3-agonists. Part 1: aryloxypropanolaminomethylpiperidines

  摘要：

  The synthesis and SAR of a series of human beta(3) adrenoreceptor agonists based on a template derived from a common pharmacophore coupled with 4-aminomethylpiperidine is described. Potent and selective agents were identified such as 26 that was in vitro active in CHO cells expressing human beta(3)-AR (EC50 = 49 nNl, IA = 1.1), and in vivo active in a transgenic mouse model. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00607-8