1-(2-Amino-2-methyl-propyl)-3-{(R)-2-oxo-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea | 169953-04-2

• 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: 1-(2-Amino-2-methyl-propyl)-3-{(R)-2-oxo-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea
• 英文别名: 1-(2-amino-2-methylpropyl)-3-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]urea
• CAS: 169953-04-2
• 化学式: C₂₉H₃₂N₈O₂
• 分子量: 524.625
• InChiKey: YBTHNKZONUHTSQ-XMMPIXPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  142
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(2-Amino-2-methyl-propyl)-3-{(R)-2-oxo-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea 在 palladium on activated charcoal molecular sieve 、 氢气 、 sodium cyanoborohydride 作用下， 以 甲醇 、 三氟乙酸 为溶剂， 生成 1-[2-((R)-2-Hydroxy-propylamino)-2-methyl-propyl]-3-{(R)-2-oxo-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea
  参考文献：
  名称：

  Benzolactam growth hormone secretagogues: Replacement of the C-3 amide bond in L-692,429

  摘要：

  The synthesis and structure-activity relationships of various C-3 amide bond modifications in the novel nonpeptidyl growth hormone secretagogue L-692,429 are described. Several C-3 amide surrogates were prepared and the urea moiety was found to exhibit growth hormone releasing activity similar to that observed with L-692,429. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00566-5
• 作为产物：
  描述：

  N-(三苯基甲基)-5-(4'-溴甲基联苯-2-基)四氮唑 在 氢溴酸 、 sodium hydride 作用下， 以 四氢呋喃 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(2-Amino-2-methyl-propyl)-3-{(R)-2-oxo-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea
  参考文献：
  名称：

  Benzolactam growth hormone secretagogues: Replacement of the C-3 amide bond in L-692,429

  摘要：

  The synthesis and structure-activity relationships of various C-3 amide bond modifications in the novel nonpeptidyl growth hormone secretagogue L-692,429 are described. Several C-3 amide surrogates were prepared and the urea moiety was found to exhibit growth hormone releasing activity similar to that observed with L-692,429. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00566-5