1-(1,3-benzodioxol-5-yl)-3-(3-bromophenyl)-propan-1,3-dione

• 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: 1-(1,3-benzodioxol-5-yl)-3-(3-bromophenyl)-propan-1,3-dione
• 英文别名: 1-(1,3-Benzodioxol-5-yl)-3-(3-bromophenyl)propane-1,3-dione
• 化学式: C₁₆H₁₁BrO₄
• 分子量: 347.165
• InChiKey: BPBXHQCQFNCHMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(1,3-benzodioxol-5-yl)-3-(3-bromophenyl)-propan-1,3-dione 在 一水合肼 作用下， 以 正丁醇 为溶剂， 反应 4.0h， 以95%的产率得到3-(1,3-苯并二恶唑-5-基)-5-(3-溴苯基)-1H-吡唑
  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：

  3,4-亚甲二氧苯乙酮 、 3-溴苯甲酸甲酯 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 反应 16.0h， 以87%的产率得到1-(1,3-benzodioxol-5-yl)-3-(3-bromophenyl)-propan-1,3-dione
  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

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。
• 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。
• Chauhan, Suresh Singh; Sharma; Saingar, Journal of the Indian Chemical Society, 2005, vol. 82, # 11, p. 1016 - 1018
  作者：Chauhan, Suresh Singh、Sharma、Saingar、Joshi

  DOI：——

  日期：——