tert-butyl (1S,6R,7S)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxylate | 385440-78-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: tert-butyl (1S,6R,7S)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxylate
• CAS: 385440-78-8
• 化学式: C₂₂H₂₂N₄O₆
• 分子量: 438.44
• InChiKey: YBKVFRWWSSDFHO-UYHISHBKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl (1S,6R,7S)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxylate 在 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (1S,6R,7S)-8-(4-butylbenzoyl)-4-(4-nitronaphthalen-1-yl)-2,4,8-triazatricyclo[5.2.1.02,6]decane-3,5-dione
  参考文献：
  名称：

  The synthesis and evaluation of [2.2.1]-bicycloazahydantoins as androgen receptor antagonists

  摘要：

  A novel series of [2.2.1]-azahydantoins has been designed and synthesized in an enantiospecific manner. The ability of these compounds to act as antagonists to the androgen receptor was investigated and several were found to have potent activity in vitro. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.09.049
• 作为产物：
  描述：

  N-Boc-反式-4-羟基-L-脯氨酸甲酯 在 palladium on activated charcoal 吡啶 、 盐酸 、 sodium hydroxide 、 锂硼氢 、 草酰氯 、 TEA 、 氢气 、 二甲基亚砜 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 、 1,2-二氯乙烷 为溶剂， 反应 2.0h， 生成 tert-butyl (1S,6R,7S)-4-(4-nitronaphthalen-1-yl)-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxylate
  参考文献：
  名称：

  The synthesis and evaluation of [2.2.1]-bicycloazahydantoins as androgen receptor antagonists

  摘要：

  A novel series of [2.2.1]-azahydantoins has been designed and synthesized in an enantiospecific manner. The ability of these compounds to act as antagonists to the androgen receptor was investigated and several were found to have potent activity in vitro. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.09.049

文献信息

• The synthesis and evaluation of [2.2.1]-bicycloazahydantoins as androgen receptor antagonists
  作者：Aaron Balog、Mark E. Salvati、Weifang Shan、Arvind Mathur、Leslie W. Leith、Donna D. Wei、Ricardo M. Attar、Jieping Geng、Cheryl A. Rizzo、Chihuei Wang、Stanley R. Krystek、John S. Tokarski、John T. Hunt、Marco Gottardis、Roberto Weinmann

  DOI：10.1016/j.bmcl.2004.09.049

  日期：2004.12

  A novel series of [2.2.1]-azahydantoins has been designed and synthesized in an enantiospecific manner. The ability of these compounds to act as antagonists to the androgen receptor was investigated and several were found to have potent activity in vitro. (C) 2004 Published by Elsevier Ltd.