2-ethyl acetate hydrochloride | 99748-86-4

• 英文名称: 2-ethyl acetate hydrochloride
• 英文别名: 2-[2-chloroethyl(2-methylpropyl)amino]ethyl acetate;hydrochloride
• CAS: 99748-86-4
• 化学式: C₁₀H₂₀ClNO₂*ClH
• 分子量: 258.188
• InChiKey: MFZVADWTWZPCCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.17
• 重原子数：
  15.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-ethyl acetate hydrochloride 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.5h， 生成 1-isobutyl-1-(2-hydroxyethyl)aziridinium chloride
  参考文献：
  名称：

  Neurochemistry of aging. 1. Toxins for an animal mode of Alzheimer's disease

  摘要：

  A chronic deficiency in central cholinergic function has been implicated in a number of neuropsychiatric diseases including Alzheimer's disease. Until recently, animal models that simulate the neurochemical conditions that appear to cause these diseases in humans, as a result of a direct manipulation of the central cholinergic system, were not available. Over the past few years, however, we have been successful in developing a cholinotoxin, 1-ethyl-1-(2-hydroxyethyl)aziridinium chloride (AF64A), which has the potential to serve as a novel compound in developing animal models of human brain disorders in which a cholinergic hypofunction has been implicated. In this paper are described the design, synthesis, and testing of several structural analogues of AF64A as potential cholinotoxins, by evaluating them for their ability to inhibit high-affinity choline transport and their affinity toward brain muscarinic receptors. One of the compounds, 1-cyclopropyl-1-(2-hydroxyethyl)aziridinium chloride (i.e. aziridine analogue of 13) was found to have a remarkably high affinity (about 40 times higher than AF64A) toward brain muscarinic receptors.

  DOI：

  10.1021/jm00153a012
• 作为产物：
  描述：

  2-ethyl acetate 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 2.5h， 以88.3%的产率得到2-ethyl acetate hydrochloride
  参考文献：
  名称：

  Neurochemistry of aging. 1. Toxins for an animal mode of Alzheimer's disease

  摘要：

  A chronic deficiency in central cholinergic function has been implicated in a number of neuropsychiatric diseases including Alzheimer's disease. Until recently, animal models that simulate the neurochemical conditions that appear to cause these diseases in humans, as a result of a direct manipulation of the central cholinergic system, were not available. Over the past few years, however, we have been successful in developing a cholinotoxin, 1-ethyl-1-(2-hydroxyethyl)aziridinium chloride (AF64A), which has the potential to serve as a novel compound in developing animal models of human brain disorders in which a cholinergic hypofunction has been implicated. In this paper are described the design, synthesis, and testing of several structural analogues of AF64A as potential cholinotoxins, by evaluating them for their ability to inhibit high-affinity choline transport and their affinity toward brain muscarinic receptors. One of the compounds, 1-cyclopropyl-1-(2-hydroxyethyl)aziridinium chloride (i.e. aziridine analogue of 13) was found to have a remarkably high affinity (about 40 times higher than AF64A) toward brain muscarinic receptors.

  DOI：

  10.1021/jm00153a012

文献信息

• MISTRY, J. S.;ABRAHAM, D. J.;HANIN, I., J. MED. CHEM., 1986, 29, N 3, 376-380
  作者：MISTRY, J. S.、ABRAHAM, D. J.、HANIN, I.

  DOI：——

  日期：——