3-(3,4-dimethoxyphenyl)-4-nitro-1-phenylbutan-1-one | 1204142-11-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3-(3,4-dimethoxyphenyl)-4-nitro-1-phenylbutan-1-one
• CAS: 1204142-11-9
• 化学式: C₁₈H₁₉NO₅
• 分子量: 329.353
• InChiKey: SINOVIOWHFMXAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(3,4-dimethoxyphenyl)-4-nitro-1-phenylbutan-1-one 在 potassium hydroxide 、 硫酸 、 水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 1.0h， 生成 2-(3,4-dimethoxyphenyl)-4-oxo-4-phenylbutanal
  参考文献：
  名称：

  [EN] NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES
  [FR] NOUVEAU MÉDICAMENT POUR L'INHIBITION DE L'AGRÉGATION DES PROTÉINES IMPLIQUÉES DANS DES MALADIES ASSOCIÉES À L'AGRÉGATION DES PROTÉINES ET/OU DES MALADIES NEURODÉGÉNÉRATIVES

  摘要：

  公开号：

  WO2010000372A3
• 作为产物：
  描述：

  苯乙酮 在 potassium phosphate 、 二乙胺 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 3-(3,4-dimethoxyphenyl)-4-nitro-1-phenylbutan-1-one
  参考文献：
  名称：

  含甲氧基和羟基及双光子吸收截面的氮杂硼-二吡咯亚甲基化合物的合成，光学性质和超快动力学

  摘要：

  在这项工作中，合成了含有甲氧基和羟基的氮杂硼二吡咯亚甲基（aza-BODIPY）化合物。研究了取代和分子内电荷转移对这些BODIPY衍生物的线性和非线性光学吸收（尤其是两个光子吸收）的影响。根据溶液的碱性，在线性吸收光谱中观察到含羟基的氮杂-BODIPY化合物的剧烈光谱变化。这些化合物的酚盐形式的线性吸收光谱中的新谱带在THF溶液中出现在500 nm以下和700 nm以上。这些发现是由于酚盐形式的分子内电荷转移状态的发生。超快泵探针光谱实验表明，酚醛形式仅在600 nm附近显示漂白信号。另一方面，酚盐形式除了在600 nm附近的漂白信号外，还在500 nm及700 nm以上的区域显示快速增长的非线性吸收信号。分子内的电荷转移状态发生在700 nm以上，并且该状态的寿命以超快时间尺度为单位。由于荧光实验的激发是在600 nm处进行的，因此由于分子内电荷转移状态下的能量弛豫而没有荧光信号。含甲

  DOI：

  10.1016/j.jphotochem.2012.08.003

文献信息

• Highly efficient modular metal-free synthesis of 3-substituted 2-quinolones
  作者：Alexander V. Aksenov、Alexander N. Smirnov、Nicolai A. Aksenov、Inna V. Aksenova、Asiyat S. Bijieva、Michael Rubin

  DOI：10.1039/c4ob02131b

  日期：——

  A modular approach to 3-substituted 2-quinolones via a cascade annulation reaction between 4-nitroketones and hydrazines has been developed.

  通过4-硝基酮和肼之间的级联环化反应，已经开发出一种3-取代2-喹啉酮的模块化方法。
• NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES
  申请人：Giese Armin

  公开号：US20110293520A1

  公开（公告）日：2011-12-01

  The present invention relates to a compound represented by formula (E). The present invention also relates to a compound represented by the formula (E) for use in the treatment or prevention of diseases linked to protein aggregation and/or neurodegenerative diseases. Moreover, the present invention relates to pharmaceutical and diagnostic compositions comprising the compound of the invention as well as to a kit. Furthermore, the present invention relates to a method of imaging deposits of aggregated protein. A kit for preparing a detectably labelled compound of the present invention is also disclosed. Formula (E) wherein X, Y and L are independently nondirectionally selected from —C(R 1 )(R 2 )—, —C(R 3 )═, —N(R 4 )—, —N═, —N + (R 5 )═, —O— and —S—; M and Z are independently nondirectionally selected from formula (I) and formula (II).

  本发明涉及一种由公式（E）表示的化合物。本发明还涉及一种由公式（E）表示的化合物，用于治疗或预防与蛋白质聚集和/或神经退行性疾病相关的疾病。此外，本发明涉及包含本发明化合物的制药和诊断组合物，以及一种试剂盒。此外，本发明还涉及一种成像聚集蛋白沉积物的方法。还公开了一种用于制备可检测标记的本发明化合物的试剂盒。公式（E）中，X、Y和L分别独立地从—C（R1）（R2）—、—C（R3）═、—N（R4）—、—N═、—N+（R5）═、—O—和—S—中非定向选择；M和Z分别独立地从公式（I）和公式（II）中非定向选择。
• DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES
  申请人：Ludwig-Maximilians-Universität München

  公开号：US20160185730A1

  公开（公告）日：2016-06-30

  The present invention relates to a compound represented by formula (E). The present invention also relates to a compound represented by the formula (E) for use in the treatment or prevention of diseases linked to protein aggregation and/or neurodegenerative diseases. Moreover, the present invention relates to pharmaceutical and diagnostic compositions comprising the compound of the invention as well as to a kit. Furthermore, the present invention relates to a method of imaging deposits of aggregated protein. A kit for preparing a detectably labelled compound of the present invention is also disclosed.

  本发明涉及一种由式(E)所表示的化合物。本发明还涉及一种由式(E)所表示的化合物，用于治疗或预防与蛋白质聚集和/或神经退行性疾病有关的疾病。此外，本发明还涉及包含本发明化合物的制药和诊断组合物，以及一种试剂盒。此外，本发明还涉及一种成像聚集蛋白沉积物的方法。还公开了一种用于制备本发明化合物的可检测标记试剂盒。
• Drugs for inhibiting aggregation of proteins invoved in diseases linked to protein aggregation and/or neurodegenerative diseases
  申请人：Ludwig-Maximilians-Universität München

  公开号：EP2687513A1

  公开（公告）日：2014-01-22

  The present invention relates to a compound represented by formula (E). The present invention also relates to a compound represented by the formula (E) for use in the treatment or prevention of diseases linked to protein aggregation and/or neurodegenerative diseases. Moreover, the present invention relates to pharmaceutical and diagnostic compositions comprising the compound of the invention as well as to a kit. Furthermore, the present invention relates to a method of imaging deposits of aggregated protein. A kit for preparing a detectably labelled compound of the present invention is also disclosed.

  本发明涉及一种由式（E）代表的化合物。本发明还涉及一种由式（E）代表的化合物，用于治疗或预防与蛋白质聚集相关的疾病和/或神经退行性疾病。此外，本发明还涉及包含本发明化合物的药物和诊断组合物以及试剂盒。此外，本发明还涉及一种对聚集蛋白沉积物成像的方法。本发明还公开了一种用于制备可检测标记的本发明化合物的试剂盒。
• Drug for inhibiting aggregation of proteins involved in diseases linked to protein aggregation and/or neurodegenerative diseases
  申请人：Ludwig-Maximilians-Universität München

  公开号：US10071966B2

  公开（公告）日：2018-09-11

  The present invention relates to a compound represented by formula (E). The present invention also relates to a compound represented by the formula (E) for use in the treatment or prevention of diseases linked to protein aggregation and/or neurodegenerative diseases. Moreover, the present invention relates to pharmaceutical and diagnostic compositions comprising the compound of the invention as well as to a kit. Furthermore, the present invention relates to a method of imaging deposits of aggregated protein. A kit for preparing a detectably labelled compound of the present invention is also disclosed.

  本发明涉及一种由式（E）代表的化合物。本发明还涉及一种由式（E）代表的化合物，用于治疗或预防与蛋白质聚集相关的疾病和/或神经退行性疾病。此外，本发明还涉及包含本发明化合物的药物和诊断组合物以及试剂盒。此外，本发明还涉及一种对聚集蛋白沉积物成像的方法。本发明还公开了一种用于制备可检测标记的本发明化合物的试剂盒。