1-异氰酸基-4-硝基萘 | 54528-16-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-异氰酸基-4-硝基萘
• 英文名称: 4-nitro-1-naphthaleneisocyanate
• 英文别名: 1-Isocyanato-4-nitronaphthalene
• CAS: 54528-16-4
• 化学式: C₁₁H₆N₂O₃
• 分子量: 214.18
• InChiKey: CPRYOKDAPHAQJS-UHFFFAOYSA-N

物化性质

• 沸点：
  366.6±30.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  75.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-异氰酸基-4-硝基萘 在 4 A molecular sieve 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 为溶剂， 生成 (6S)-Tetrahydro-6-hydroxy-2-(4-nitro-1-naphthalenyl)-1H-pyrrolo [1,2-c]imidazole-1,3(2H)-dione
  参考文献：
  名称：

  Discovery of Potent, Orally-Active, and Muscle-Selective Androgen Receptor Modulators Based on an N-Aryl-hydroxybicyclohydantoin Scaffold

  摘要：

  A novel, N-aryl-bicyclohydantoin selective androgen receptor modulator scaffold was discovered through structure-guided modifications of androgen receptor antagonists. A prototype compound (7R,7aS)-10b from this series is a potent and highly tissue-selective agonist of the androgen receptor. After oral dosing in a rat atrophied levator ani muscle model, (7R,7aS)-10b demonstrated efficacy at restoring levator ani muscle mass to that of intact controls and exhibited >50-fold selectivity for muscle over prostate.

  DOI：

  10.1021/jm061101w
• 作为产物：
  描述：

  光气 、 1-氨基-4-硝基萘 在 碳酸氢钠 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 1-异氰酸基-4-硝基萘
  参考文献：
  名称：

  Bicyclic modulators of androgen receptor function

  摘要：

  该发明提供了公式I1中的化合物，其中取代基如本说明所述。进一步提供了使用这些化合物治疗核激素受体相关疾病的方法，例如与年龄相关的疾病，例如肌少症，并且还提供了含有这些化合物的药物组合物。

  公开号：

  US20030055094A1

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。
• Selective androgen receptor modulators and methods for their identification, design and use
  申请人：——

  公开号：US20020173445A1

  公开（公告）日：2002-11-21

  Selective androgen receptor modulators (SARMs) having antagonist activity in hormone-dependent tumors while exhibiting no activity or agonist activity against other nontumor tissues containing the androgen receptor as well as methods for identifying, designing and using SARMs are provided.

  选择性雄激素受体调节剂（SARMs）在激素依赖性肿瘤中具有拮抗剂活性，而对含有雄激素受体的其他非肿瘤组织无活性或表现为激动剂活性，以及提供识别、设计和使用SARMs的方法。
• [EN] BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION<br/>[FR] MODULATEURS BICYCLIQUES DE LA FONCTION DU RECEPTEUR ANDROGENE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003011824A1

  公开（公告）日：2003-02-13

  The invention provides compounds of the formula I [INSERT CHEMICAL STRUCTURE HERE]wherein the substitutents are as described herein. Further provided are methods of using such compounds for the treatment of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia, and also provided are pharmaceutical compositions containing such compounds.

  本发明提供了化合物I的公式[插入化学结构]，其中取代基如本文所述。还提供了使用这些化合物治疗核激素受体相关疾病的方法，例如与年龄相关的疾病，例如肌肉萎缩症，还提供了含有这些化合物的制药组合物。
• 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.
• 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