(1S,6R,7S)-4-(4-nitronaphthalen-1-yl)-2,4,8-triazatricyclo[5.2.1.02,6]decane-3,5-dione | 385440-77-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (1S,6R,7S)-4-(4-nitronaphthalen-1-yl)-2,4,8-triazatricyclo[5.2.1.02,6]decane-3,5-dione
• CAS: 385440-77-7
• 化学式: C₁₇H₁₄N₄O₄
• 分子量: 338.323
• InChiKey: YKSLCDPGPPDZKS-ONENECBXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  98.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  苯甲酰氯 、 (1S,6R,7S)-4-(4-nitronaphthalen-1-yl)-2,4,8-triazatricyclo[5.2.1.02,6]decane-3,5-dione 在 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (1S,6R,7S)-8-benzoyl-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：

  (2S-trans)-2-[cyano[(phenylmethyl)amino]methyl]-4-[[(4-methylphenyl)-sulfonyl]oxy]-1-pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester 在 palladium on activated charcoal 盐酸 、 sodium hydroxide 、 氢气 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙酸乙酯 、 1,2-二氯乙烷 为溶剂， 反应 2.0h， 生成 (1S,6R,7S)-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

文献信息

• Fused cyclic modulators of nuclear hormone receptor function
  申请人：——

  公开号：US20030114420A1

  公开（公告）日：2003-06-19

  Fused cyclic compounds, methods of using such compounds in the treatment of nuclear hormone receptor-associated conditions such as cancer and immune disorders, and pharmaceutical compositions containing such compounds.

  融合环化合物，使用这种化合物治疗与核激素受体相关疾病（如癌症和免疫紊乱）的方法，以及含有这种化合物的药物组合物。
• FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION
  申请人：Bristol-Myers Squibb Co.

  公开号：EP1299385A2

  公开（公告）日：2003-04-09
• US7001911B2
  申请人：——

  公开号：US7001911B2

  公开（公告）日：2006-02-21
• US7432267B2
  申请人：——

  公开号：US7432267B2

  公开（公告）日：2008-10-07
• [EN] FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION<br/>[FR] MODULATEURS CYCLIQUES CONDENSES DE LA FONCTION DU RECEPTEUR HORMONAL NUCLEAIRE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2002000653A2

  公开（公告）日：2002-01-03

  Fused cyclic compounds, methods of using such compounds in the treatment of nuclear hormone receptor-associated conditions such as cancer and immune disorders, and pharmaceutical compositions containing such compounds.