2-amino-5-(3'-methoxy-1,1'-biphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one

• 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: 2-amino-5-(3'-methoxy-1,1'-biphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
• 英文别名: 2-Amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
• 化学式: C₂₂H₂₀N₄O₂
• 分子量: 372.426
• InChiKey: PVTVKIDYHUXCHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲胍 、 1-(3'-methoxy-[1,1'-biphenyl]-3-yl)-2-(pyridin-4-yl)ethane-1,2-dione 在 sodium carbonate 作用下， 以 乙醇 、 水 为溶剂， 生成 2-amino-5-(3'-methoxy-1,1'-biphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
  参考文献：
  名称：

  Pyridinyl aminohydantoins as small molecule BACE1 inhibitors

  摘要：

  A novel class of pyridinyl aminohydantoins was designed and prepared as highly potent BACE1 inhibitors. Compound (S)-4g showed excellent potency with IC50 of 20 nM for BACE1. X-ray crystallography indicated that the interaction between pyridine nitrogen and the tryptophan Trp76 was a key feature in the S2' region of the enzyme that contributed to increased potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.136

文献信息

• Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation
  申请人：Zhou Ping

  公开号：US20070004730A1

  公开（公告）日：2007-01-04

  The present invention provides a 2-amino-5-heteroaryl-5-phenylimidazolone compound of formula I The present invention also provides methods for the use thereof to inhibit β-secretase (BACE) and treat β-amyloid deposits and neurofibrillary tangles

  本发明提供了一种式I的2-氨基-5-杂环基-5-苯基咪唑酮化合物。本发明还提供了使用该化合物抑制β-分泌酶（BACE）和治疗β-淀粉样沉积和神经原纤维缠结的方法。
• AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION
  申请人：Zhou Ping

  公开号：US20090042908A1

  公开（公告）日：2009-02-12

  The present invention provides a 2-amino-5-heteroaryl-5-phenylimidazolone compound of formula I The present invention also provides methods for the use thereof to inhibit β-secretase (BACE) and treat β-amyloid deposits and neurofibrillary tangles

  本发明提供一种式为I的2-氨基-5-杂环基-5-苯基咪唑酮化合物。本发明还提供了使用该化合物的方法，以抑制β-分泌酶（BACE）并治疗β-淀粉样沉积和神经原纤维缠结。
• US7452885B2
  申请人：——

  公开号：US7452885B2

  公开（公告）日：2008-11-18
• Pyridinyl aminohydantoins as small molecule BACE1 inhibitors
  作者：Ping Zhou、Yanfang Li、Yi Fan、Zheng Wang、Rajiv Chopra、Andrea Olland、Yun Hu、Ronald L. Magolda、Menelas Pangalos、Peter H. Reinhart、M. James Turner、Jonathan Bard、Michael S. Malamas、Albert J. Robichaud

  DOI：10.1016/j.bmcl.2010.01.136

  日期：2010.4

  A novel class of pyridinyl aminohydantoins was designed and prepared as highly potent BACE1 inhibitors. Compound (S)-4g showed excellent potency with IC50 of 20 nM for BACE1. X-ray crystallography indicated that the interaction between pyridine nitrogen and the tryptophan Trp76 was a key feature in the S2' region of the enzyme that contributed to increased potency. (C) 2010 Elsevier Ltd. All rights reserved.