2-bromo-1-(4-imidazolyl)ethanone hydrobromide | 82982-48-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-1-(4-imidazolyl)ethanone hydrobromide
• 英文别名: 2-Bromo-1-(1H-imidazol-5-yl)ethanone hydrobromide；2-bromo-1-(1H-imidazol-5-yl)ethanone;hydrobromide
• CAS: 82982-48-7
• 化学式: BrH*C₅H₅BrN₂O
• 分子量: 269.923
• InChiKey: KFJUMZIFXCCMMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.57
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  45.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-bromo-1-(4-imidazolyl)ethanone hydrobromide 以60%的产率得到
  参考文献：
  名称：

  LAMATTINA, J. L.;LIPINSKI, C. A.

  摘要：

  DOI：
• 作为产物：
  描述：

  4-乙酰基咪唑 以35%的产率得到
  参考文献：
  名称：

  LAMATTINA, J. L.;LIPINSKI, C. A.

  摘要：

  DOI：

文献信息

• Imidazo[2,1]thiazol-3-one derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US20150157739A1

  公开（公告）日：2015-06-11

  The invention relates to imidazo[2,1-b]thiazol-3-one derivatives of formula wherein the variables are defined herein, or to a pharmaceutically acceptable acid addition salt, to a racemic mixture or to its corresponding enantiomer and/or optical isomers thereof. It has been shown that the present compounds may be used for binding and imaging tau aggregates and related b-sheet aggregates including besides others beta-amyloid aggregates or alpha-synuclein aggregates, especially for use in binding and imaging tau aggregates in Alzheimer's patients.

  本发明涉及公式中变量如下的咪唑并[2,1-b]噻唑-3-酮衍生物，或其药学上可接受的酸加盐、外消旋混合物或其对应的对映体和/或光学异构体。已经证明，这些化合物可用于结合和成像tau聚集物和相关的β-折叠聚集物，包括除其他外的β-淀粉样聚集物或α-突触核聚集物，特别是用于结合和成像阿尔茨海默病患者中的tau聚集物。
• Bioisosteric prototype design of biaryl imidazolyl and triazolyl competitive histamine H2-receptor antagonists
  作者：Christopher A. Lipinski、John L. LaMattina、P. J. Oates

  DOI：10.1021/jm00161a005

  日期：1986.11

  The structural relationship of the competitive histamine H2-receptor antagonist 3-amino-5-(2-amino-4-pyridyl)-1,2,4-triazole (1) to the agonist histamine and to antagonists of the cimetidine type was explored by the design and synthesis of four series of bioisosterically designed prototypes. Biological data from these series was best interpreted as indicating a similarity between the imidazole moiety of histamine and cimetidine and the 2-amino-4-pyridyl moiety of 1. On the basis of this data, sequential replacement of 2-amino-4-pyridyl by 2-[(dimethylamino)methyl]-5-furyl and 2-guanidino-4-triazolyl moieties led to a structurally more potent series of biaryl histamine H2-receptor antagonists. The best of these, 2-methyl-4-(2-guanidino-4-thiazolyl)imidazole (29, CP-57,361-1) was 120 times more potent as a histamine H2-receptor antagonist than 1.
• LIPINSKI C. A.; LAMATTINA J. L.; OATES P. J., J. MED. CHEM., 29,(1986) N 11, 2154-2163
  作者：LIPINSKI C. A.、 LAMATTINA J. L.、 OATES P. J.

  DOI：——

  日期：——