1-(2-Adamantylmethyl)-3-[3-(N,N-dimethylamino)phenyloxycarbonyl]amino-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 1-(2-Adamantylmethyl)-3-[3-(N,N-dimethylamino)phenyloxycarbonyl]amino-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
• 英文别名: [3-(dimethylamino)phenyl] N-[1-(2-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]carbamate
• 化学式: C₃₅H₃₈N₄O₄
• 分子量: 578.711
• InChiKey: ATRQKDJVFQLOCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  82.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(dimethylamino)phenyl chloroformate 、 1-N-(adamant-2-ylmethyl)-3-amino-2,4-dioxo-5-N-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 1-(2-Adamantylmethyl)-3-[3-(N,N-dimethylamino)phenyloxycarbonyl]amino-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
  参考文献：
  名称：

  Synthesis and Evaluation of 1,5-Benzodiazepines with Bridged Cycloalkyl Substituents at the N-1 Position as Potent and Selective CCK-B Ligands

  摘要：

  The synthesis and biological evaluation of 3-ureido and 3-carbamate derivatives of 1,5-benzodiazepines bearing bridged cycloalkyl substituents at N-1 are reported. Their activity as CCK-B receptor ligands is briefly discussed.

  DOI：

  10.1002/(sici)1521-4184(199801)331:1<41::aid-ardp41>3.0.co;2-s

文献信息

• CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE
  申请人：GLAXO WELLCOME S.p.A.

  公开号：EP0623118B1

  公开（公告）日：1998-05-13
• US5486514A
  申请人：——

  公开号：US5486514A

  公开（公告）日：1996-01-23
• Synthesis and Evaluation of 1,5-Benzodiazepines with Bridged Cycloalkyl Substituents at the N-1 Position as Potent and Selective CCK-B Ligands
  作者：Gabriella Finizia、Daniele Donati、Giorgio Pentassuglia、Stefano Polinelli、Giorgio Tarzia、Maria Elvira Tranquillini、Antonella Ursini

  DOI：10.1002/(sici)1521-4184(199801)331:1<41::aid-ardp41>3.0.co;2-s

  日期：1998.1

  The synthesis and biological evaluation of 3-ureido and 3-carbamate derivatives of 1,5-benzodiazepines bearing bridged cycloalkyl substituents at N-1 are reported. Their activity as CCK-B receptor ligands is briefly discussed.