3-(2'-hydroxy-3'-bromo-5'-methylphenyl)-5-(3,4-methylenedioxyphenyl)-2-pyrazoline | 862897-04-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 3-(2'-hydroxy-3'-bromo-5'-methylphenyl)-5-(3,4-methylenedioxyphenyl)-2-pyrazoline
• 英文别名: 2-[5-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-methylphenol
• CAS: 862897-04-9
• 化学式: C₁₇H₁₅BrN₂O₃
• 分子量: 375.222
• InChiKey: DMOYDKGOQODTIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  63.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2'-hydroxy-3'-bromo-5'-methylphenyl)-5-(3,4-methylenedioxyphenyl)-2-pyrazoline 、 溶剂黄146 反应 1.0h， 生成 3-(2'-hydroxy-3'-bromo-5'-methylphenyl)-5-(3;4-methylenedioxyphenyl)-N-acetylpyrazoline
  参考文献：
  名称：

  Karamunge, Khushal G.; Sayyed, Mudassar A.; Vibhute, Archana Y., Journal of the Indian Chemical Society, 2011, vol. 88, # 3, p. 443 - 450

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(3-溴-2-羟基-5-甲基苯基)乙酮 在 一水合肼 、 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 5.0h， 生成 3-(2'-hydroxy-3'-bromo-5'-methylphenyl)-5-(3,4-methylenedioxyphenyl)-2-pyrazoline
  参考文献：
  名称：

  Karamunge, Khushal G.; Sayyed, Mudassar A.; Vibhute, Archana Y., Journal of the Indian Chemical Society, 2011, vol. 88, # 3, p. 443 - 450

  摘要：

  DOI：

文献信息

• 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。