2-氨基-5-氯-4-硝基苯酚 | 78827-35-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-氨基-5-氯-4-硝基苯酚
• 英文名称: 2-amino-5-chloro-4-nitrophenol
• 英文别名: 5-Chlor-4-nitro-2-amino-phenol；5-Chlor-4-nitro-2-aminophenol
• CAS: 78827-35-7
• 化学式: C₆H₅ClN₂O₃
• 分子量: 188.57
• InChiKey: IFLSOQSGEWOHAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-氨基-5-氯-4-硝基苯酚 在 盐酸 、 potassium carbonate 作用下， 以 乙酸乙酯 为溶剂， 生成 4-(6-chloro-5-nitro-benzooxazol-2-yl)-1,4-diazabicyclo[3.2.2]nonane hydrochloride
  参考文献：
  名称：

  Pharmaceutical compositions for CNS and other disorders

  摘要：

  公开号：

  EP1219622B1

文献信息

• General and efficient synthesis of benzoxazol-2(3H)-ones: evolution of their anti-cancer and anti-mycobacterial activities
  作者：K. Indrasena Reddy、C. Aruna、K. Sudhakar Babu、V. Vijayakumar、M. Manisha、J. Padma Sridevi、P. Yogeeswari、D. Sriram

  DOI：10.1039/c4ra07123a

  日期：——

  A novel class of benzo[d]oxazol-2(3H)-one derivatives has been synthesized and their in vitro cytotoxicity against human pancreatic adenocarcinoma and human non-small cell lung carcinoma cancer cell lines was evaluated.

  已经合成了一类新型的苯并[d]恶唑-2(3H)-酮衍生物，并评估了它们对人类胰腺腺癌和非小细胞肺癌细胞系的体外细胞毒性。

• Pharmaceutical composition for the treatment of CNS and other disorders
  申请人：——

  公开号：US20020086871A1

  公开（公告）日：2002-07-04

  The present invention relates to a method of treating disorders of the Central Nervous System (CNS) and other disorders in a mammal, including a human, by administering to the mammal a CNS-penetrant &agr;7 nicotinic receptor agonist. It also relates to pharmaceutical compositions containing a pharmaceutically acceptable carrier and a CNS-penetrant &agr;7 nicotinic receptor agonist.

  本发明涉及一种治疗哺乳动物中枢神经系统（CNS）和其他疾病的方法，包括人类，在哺乳动物中给予一种穿透中枢神经系统的α7烟碱受体激动剂。同时涉及含有药用可接受载体和穿透中枢神经系统的α7烟碱受体激动剂的药物组合物。
• Discovery, Structure-Activity Relationship Studies, and Crystal Structure of Nonpeptide Inhibitors Bound to the Shank3 PDZ Domain
  作者：Jörn Saupe、Yvette Roske、Christian Schillinger、Nestor Kamdem、Silke Radetzki、Anne Diehl、Hartmut Oschkinat、Gerd Krause、Udo Heinemann、Jörg Rademann

  DOI：10.1002/cmdc.201100094

  日期：2011.8.1

  for hit optimization, and structure–activity relationship studies are performed. Best hits possess Ki values in the 10 μM range, and binding to the PDZ domain is confirmed by 1H,15N HSQC NMR experiments. One of the hits crystallizes with the Shank3 PDZ domain. The structure, analyzed at a resolution of 1.85 Å, reveals details of the binding mode. Finally, binding to PDZ domains of PSD‐95, syntrophin,

  小腿是在中枢神经系统细胞中发现的突触后密度（PSD）蛋白复合体的中央支架蛋白。细胞研究表明，蛋白质在PSD的组织，神经元形态的发展，神经元信号传导和突触可塑性中起着重要作用，从而将Shank功能与学习和记忆的分子基础联系起来。Shank基因的突变已在几种神经元疾病中发现，包括智力低下，典型的自闭症和阿斯伯格综合症。柄通过其PDZ结构域与PSD复合物相连，该PDZ结构域与鸟苷酸激酶相关蛋白（GKAP）的C末端结合。在这里，开发了Shank3 PDZ域的小分子抑制剂。建立了基于鉴定出的高亲和力肽的荧光偏振测定，四氢喹啉羧酸盐和四氢喹啉羧酸盐被认为是这种蛋白质与蛋白质相互作用的抑制剂。通过杂Diels-Alder策略进行化学合成来进行命中优化，并进行结构-活性关系研究。最佳单曲K i值在10μM范围内，并且通过1 H，15 N HSQC NMR实验证实了与PDZ域的结合。其中一则热门影片是Shank3
• PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS
  申请人：O'Neill Thomas Brian

  公开号：US20070099904A1

  公开（公告）日：2007-05-03

  The present invention relates to compounds of formula I The substituent designations are as disclosed. At least one of B Q, D and E is nitrogen. The present invention also provides a method of treating disorders of the Central Nervous System such as schizophrenia and cognitive dysfunction.

  本发明涉及I式化合物。取代基的标识如所披露的那样。B、Q、D和E中至少有一个是氮。本发明还提供了一种治疗中枢神经系统疾病，如精神分裂症和认知功能障碍的方法。
• Easy Access to <i>cis</i>-3-(Benzoxazol-2-yl)cyclopentanecarboxylic Acids from Camphorquinone and o-Aminophenols via an Unexpected Opening of Camphor Ring
  作者：Joanna Nowicka-Scheibe

  DOI：10.1080/00397911.2012.696302

  日期：2013.8.18

  An unexpected formation of cis-1,2,2-trimethyl-3-(benzoxazol-2-yl)cyclopenta-necarboxylic acids was observed as the result of an oxidative C-C bond cleavage of the camphor ring in the intermediate imine during the condensation reactions between camphoroquinone and o-aminophenols conducted under open air conditions. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.