{2-[4-(4-Amino-benzenesulfonylamino)-phenyl]-ethyl}-{(S)-3-[4-(tert-butyl-dimethyl-silanyloxy)-phenoxy]-2-hydroxy-propyl}-carbamic acid tert-butyl ester | 172902-00-0

• 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-[4-(4-Amino-benzenesulfonylamino)-phenyl]-ethyl}-{(S)-3-[4-(tert-butyl-dimethyl-silanyloxy)-phenoxy]-2-hydroxy-propyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[2-[4-[(4-aminophenyl)sulfonylamino]phenyl]ethyl]-N-[(2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-2-hydroxypropyl]carbamate
• CAS: 172902-00-0
• 化学式: C₃₄H₄₉N₃O₇SSi
• 分子量: 671.93
• InChiKey: PCFLXFWPFJVNJH-NDEPHWFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.67
• 重原子数：
  46
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  149
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  {2-[4-(4-Amino-benzenesulfonylamino)-phenyl]-ethyl}-{(S)-3-[4-(tert-butyl-dimethyl-silanyloxy)-phenoxy]-2-hydroxy-propyl}-carbamic acid tert-butyl ester 在 吡啶 、 盐酸 作用下， 以 甲醇 为溶剂， 生成 N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylsulfamoyl)-phenyl]-propionamide
  参考文献：
  名称：

  Discovery of L-755,507: A subnanomolar human β3 adrenergic receptor agonist

  摘要：

  A study of 4-acylaminobenzenesulfonamides in a cloned human beta(3) adrenergic receptor assay resulted in the discovery of n-hexylurea, L-755,507 (22). This 0.43 nM beta(3) agonist, which is > 440-fold selective over both beta(1) and beta(2) binding, is among the most potent human beta(3) agonists reported to date. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00170-x
• 作为产物：
  描述：

  [2-(4-Amino-phenyl)-ethyl]-{(S)-3-[4-(tert-butyl-dimethyl-silanyloxy)-phenoxy]-2-hydroxy-propyl}-carbamic acid tert-butyl ester 在 palladium dihydroxide 吡啶 、 氢气 作用下， 以 甲醇 为溶剂， 生成 {2-[4-(4-Amino-benzenesulfonylamino)-phenyl]-ethyl}-{(S)-3-[4-(tert-butyl-dimethyl-silanyloxy)-phenoxy]-2-hydroxy-propyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Discovery of L-755,507: A subnanomolar human β3 adrenergic receptor agonist

  摘要：

  A study of 4-acylaminobenzenesulfonamides in a cloned human beta(3) adrenergic receptor assay resulted in the discovery of n-hexylurea, L-755,507 (22). This 0.43 nM beta(3) agonist, which is > 440-fold selective over both beta(1) and beta(2) binding, is among the most potent human beta(3) agonists reported to date. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00170-x