1-(1-乙基-2-甲基-1H-苯并[d]咪唑-5-基)乙酮 | 2818-77-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 1-(1-乙基-2-甲基-1H-苯并[d]咪唑-5-基)乙酮
• 英文名称: 1-ethyl-2-methyl-5-benzimidazolyl methyl ketone
• 英文别名: 1-(1-ethyl-2-methyl-1H-benzoimidazol-5-yl)-ethanone；1-ethyl-2-methylbenzimidazole-5-yl methyl ketone；5-Acetyl-1-ethyl-2-methyl-benzimidazol；1-(1-Ethyl-2-methyl-1H-benzo[d]imidazol-5-yl)ethanone；1-(1-ethyl-2-methylbenzimidazol-5-yl)ethanone
• CAS: 2818-77-1
• 化学式: C₁₂H₁₄N₂O
• 分子量: 202.256
• InChiKey: DKLFJFVIYXXTEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  180-200 °C(Press: 2 Torr)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-(1-乙基-2-甲基-1H-苯并[d]咪唑-5-基)乙酮 在 sodium ethanolate 作用下， 生成 1,3-bis-(5-acetyl-1,3-diethyl-1(3)H-benzimidazol-2-yl)-trimethinium ; iodide
  参考文献：
  名称：

  Benzimidazolocarbocyanine dyes

  摘要：

  公开号：

  US02778823A1

文献信息

• FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION
  申请人：Leonard Kristi Anne

  公开号：US20120129872A1

  公开（公告）日：2012-05-24

  This invention relates to thiazole I and its therapeutic and prophylactic uses, wherein the variables A, Q, J, R 1 , R 3 , and R 5 are defined in the specification. Disorders treated and/or prevented include rheumatoid arthritis.

  该发明涉及噻唑I及其治疗和预防用途，其中变量A、Q、J、R1、R3和R5在规范中有定义。治疗和/或预防的疾病包括类风湿性关节炎。
• Heteroaryl amines as novel acetylcholinesterase inhibitors
  申请人：Pfizer Inc.

  公开号：US05574046A1

  公开（公告）日：1996-11-12

  Compounds of the formula ##STR1## wherein ring A, ring B, ring D, R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6, R.sup.11, R.sup.12, R.sup.13, E, G, X and P are as defined below. The compounds of formula I are cholinesterase inhibitors and are useful in enhancing memory in patients suffering from dementia and Alzheimer's disease.

  式##STR1##中的化合物，其中环A、环B、环D、R.sup.2、R.sup.3、R.sup.4、R.sup.5、R.sup.6、R.sup.11、R.sup.12、R.sup.13、E、G、X和P的定义如下。式I的化合物是胆碱酯酶抑制剂，对患有痴呆症和阿尔茨海默病的患者有助于增强记忆。
• Heteroaryl amines as novel acetyl cholinesterase inhibitors
  申请人：Pfizer Inc

  公开号：US06124321A1

  公开（公告）日：2000-09-26

  Compounds of the formula ##STR1## wherein ring A, ring B, ring D, R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6,R.sup.11, R.sup.12, R.sup.13, E, G, X and P are as defined below. The compounds of formula I are cholinesterase inhibitors and are useful in enhancing memory in patients suffering from dementia and Alzheimer's disease.

  公式为##STR1##的化合物，其中环A，环B，环D，R.sup.2，R.sup.3，R.sup.4，R.sup.5，R.sup.6，R.sup.11，R.sup.12，R.sup.13，E，G，X和P的定义如下。公式I的化合物是胆碱酯酶抑制剂，对于患有痴呆和阿尔茨海默病的患者增强记忆有用。
• DE1007620
  申请人：——

  公开号：——

  公开（公告）日：——
• Design and Synthesis of 1-Heteroaryl-3-(1-benzyl-4-piperidinyl)propan-1-one Derivatives as Potent, Selective Acetylcholinesterase Inhibitors
  作者：Arthur A. Nagel、Dane R. Liston、Stanley Jung、Melissa Mahar、Lawrence A. Vincent、Douglas Chapin、Yuhpyng L. Chen、Sean Hubbard、Jeffrey L. Ives

  DOI：10.1021/jm00007a005

  日期：1995.3

  Herein is described the synthesis and structure-activity relationship of a novel series of aromatic and heteroaromatic 3-(1-benzyl-4-piperidinyl)propan-1-one derivatives that display potent and selective inhibition of the enzyme acetylcholinesterase (AChE). 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one hydrochloride, 6d, is one of the most active compounds within this series exhibiting an IC50 for the inhibition of the AChE enzyme equal to 6.8 nM. Compound 6d has shown a dose-dependent elevation of total acetylcholine (ACh) levels in the mouse forebrain with an oral ED(50) = 9.8 mg/kg. In addition, in vivo microdialysis experiments in the rat demonstrate that 6d increases extracellular ACh (100% over basal) 1-3 h postdose with an oral ED(50) = 4.8 mg/kg.