[1,1-Dimethyl-2-(3-{(R)-2-oxo-1-[2'-(1-trityl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-ureido)-ethyl]-carbamic acid tert-butyl ester | 169954-71-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: [1,1-Dimethyl-2-(3-{(R)-2-oxo-1-[2'-(1-trityl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-ureido)-ethyl]-carbamic acid tert-butyl ester
• CAS: 169954-71-6
• 化学式: C₅₃H₅₄N₈O₄
• 分子量: 867.063
• InChiKey: FWDICCORFNHULA-WBVITSLISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  65.0
• 可旋转键数：
  12.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  143.37
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  [1,1-Dimethyl-2-(3-{(R)-2-oxo-1-[2'-(1-trityl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-ureido)-ethyl]-carbamic acid tert-butyl ester 在 molecular sieve 、 氢溴酸 、 sodium cyanoborohydride 作用下， 以 溶剂黄146 为溶剂， 生成 1-[2-((R)-2-Benzyloxy-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：

  (R)-3-氨基-2,3,4,5-四氢-1H-苯并氮杂-2-酮 在 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 [1,1-Dimethyl-2-(3-{(R)-2-oxo-1-[2'-(1-trityl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-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