1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea | 1072801-42-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea
• 英文别名: 1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
• CAS: 1072801-42-3
• 化学式: C₁₆H₂₂N₄O₂S
• 分子量: 334.442
• InChiKey: AYTMAWUKURFAAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  92.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(3-(5-methyl-1H-imidazol-1-yl)propyl)isoindoline-1,3-dione 在 肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea
  参考文献：
  名称：

  WO2008/128985

  摘要：

  公开号：

文献信息

• NOVEL INHIBITORS OF GLUTAMINYL CYCLASE
  申请人：Buchholz Mirko

  公开号：US20080286231A1

  公开（公告）日：2008-11-20

  Compounds of formula (I), combinations and uses thereof for disease therapy, or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: A represents and B, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and Z are as defined throughout the description and the claims.

  公式(I)的化合物，其组合物和用于疾病治疗的用途，或其药学上可接受的盐、溶剂化合物或多晶形式，包括其所有互变异构体和立体异构体，其中：A代表...，B、R1、R2、R3、R4、R5、R6和Z的定义在说明书和权利要求中均有定义。
• Thiourea derivatives as glutaminyl cyclase inhibitors
  申请人：Probiodrug AG

  公开号：EP2865670A1

  公开（公告）日：2015-04-29

  The present invention relates to compounds of formula (I), combinations and uses thereof for disease therapy, or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: A represents and B, R1, R2, R3, R4, R5, R6 and Z are as defined throughout the description and the claims.

  本发明涉及用于疾病治疗的式 (I) 化合物、其组合物和用途、 或其药学上可接受的盐、溶液或多晶型，包括其所有同系物和立体异构体 其中 A 代表 和 B、R1、R2、R3、R4、R5、R6 和 Z 在整个描述和权利要求中的定义。
• Inhibitors for Human Glutaminyl Cyclase by Structure Based Design and Bioisosteric Replacement
  作者：Mirko Buchholz、Antje Hamann、Susanne Aust、Wolfgang Brandt、Livia Böhme、Torsten Hoffmann、Stephan Schilling、Hans-Ulrich Demuth、Ulrich Heiser

  DOI：10.1021/jm900969p

  日期：2009.11.26

  The inhibition of human glutaminyl cyclase (hQC) has come into focus as a new potential approach for the treatment of Alzheimer's disease. The hallmark of this principle is the prevention of the formation of A beta(3,11(pE)-40,42), as these A beta-species were shown to be of elevated neurotoxicity and likely to act as a seeding core leading to an accelerated formation of A beta-oligomers and fibrils. Starting from 1-(3-(1H-imidazol-1-yl)propyl)-3-(3,4-dimethoxyphenyl)thiourea, bioisosteric replacements led to the development of new classes of inhibitors. The optimization of the metal-binding group was achieved by homology modeling and afforded a first insight into the probable binding mode of the inhibitors in the hQC active site. The efficacy assessment of the hQC inhibitors was performed in cell culture, directly monitoring the inhibition of A beta(3,11(pE)-40,42) formation.
• THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS
  申请人：Probiodrug AG

  公开号：EP2142514A1

  公开（公告）日：2010-01-13
• US9656991B2
  申请人：——

  公开号：US9656991B2

  公开（公告）日：2017-05-23