{1,1-Dimethyl-2-[3-((R)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)-ureido]-ethyl}-carbamic acid tert-butyl ester | 169954-69-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: {1,1-Dimethyl-2-[3-((R)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)-ureido]-ethyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[2-methyl-1-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]carbamoylamino]propan-2-yl]carbamate
• CAS: 169954-69-2
• 化学式: C₂₀H₃₀N₄O₄
• 分子量: 390.483
• InChiKey: UNGRRWSAHMJZAZ-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  109
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  {1,1-Dimethyl-2-[3-((R)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)-ureido]-ethyl}-carbamic acid tert-butyl ester 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
• 作为产物：
  描述：

  (R)-3-氨基-2,3,4,5-四氢-1H-苯并氮杂-2-酮 、 Carbamic acid, (2-isocyanato-1,1-dimethylethyl)-, 1,1-dimethylethyl ester 生成 {1,1-Dimethyl-2-[3-((R)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)-ureido]-ethyl}-carbamic acid tert-butyl ester
  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