[3-[2-(3,4-二甲氧基苯基)乙基]-2-苯基-1,3-恶唑烷-5-基]甲醇 | 66781-20-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [3-[2-(3,4-二甲氧基苯基)乙基]-2-苯基-1,3-恶唑烷-5-基]甲醇
• 英文名称: (S) 2-phenyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxymethyloxazolidine
• 英文别名: 2-Phenyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(hydroxymethyl)oxazolidine；2-phenyl-3-(3,4-dimethoxyphenethyl)-5-hydroxymethyloxazolidine；{3-[2-(3,4-Dimethoxyphenyl)ethyl]-2-phenyl-1,3-oxazolidin-5-yl}methanol；[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenyl-1,3-oxazolidin-5-yl]methanol
• CAS: 66781-20-2
• 化学式: C₂₀H₂₅NO₄
• 分子量: 343.423
• InChiKey: OFOIXOZSVSSULD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [3-[2-(3,4-二甲氧基苯基)乙基]-2-苯基-1,3-恶唑烷-5-基]甲醇 在 吡啶 、 盐酸 、 sodium acetate 、 sodium hydride 作用下， 反应 24.5h， 生成 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
  参考文献：
  名称：

  .beta.1-Selective adrenoceptor antagonists: examples of the 2-[4-[3-(substituted-amino)-2-hydroxypropoxy]phenyl]imidazole class

  摘要：

  A series of 2-[4-[3-(substituted-amino)-2-hydroxypropoxy]phenyl]imidazoles is described. The compounds were investigated in vitro for beta-adrenoceptor antagonism, and several examples were found to be selective for the beta 1-adrenoceptor. The structure--activity relationship exhibited by this series of compounds is discussed. (S)-2-[p-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-hydroxypropoxy]phenyl]-4-(2 -thienyl)imidazole [(S)-13] was over 100 times more selective than atenolol for the beta 1-adrenergic receptor and has been selected for in-depth studies.

  DOI：

  10.1021/jm00361a004
• 作为产物：
  描述：

  3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2-propanediol 生成 [3-[2-(3,4-二甲氧基苯基)乙基]-2-苯基-1,3-恶唑烷-5-基]甲醇
  参考文献：
  名称：

  BALDWIN, J. J.;DENNY, G. H.;HIRSCHMANN, R.;FREEDMAN, M. B.;PONTICELLO, G.+, J. MED. CHEM., 1983, 26, N 7, 950-957

  摘要：

  DOI：

文献信息

• 3-Amino-2-hydroxypropoxyaryl imidazole derivatives
  申请人：Merck & Co., Inc.

  公开号：US04440774A1

  公开（公告）日：1984-04-03

  Novel substituted imidazoles of the formula ##STR1## and methods for their preparation are disclosed. These imidazoles, and their salts, exhibit pharmacological activity which includes antihypertensive activity and .beta.-adrenergic blocking activity.

  揭示了公式为##STR1##的新型取代咪唑类化合物以及它们的制备方法。这些咪唑类化合物及其盐表现出药理活性，包括抗高血压活性和β-肾上腺素受体阻滞活性。
• N-Aralkyl containing cyanopyridines
  申请人：Merck & Co., Inc.

  公开号：US04208416A1

  公开（公告）日：1980-06-17

  N-Aralkylamino-OR-propoxycyanopyridines having pharmacological activity are disclosed.

  揭示了具有药理活性的N-芳基氨基-OR-丙氧基氰吡啶。
• Oxazoles and thiazoles containing an aminohydroxypropoxyphenyl moiety
  申请人：Merck & Co., Inc.

  公开号：US04735961A1

  公开（公告）日：1988-04-05

  Novel substituted aminohydroxypropoxyphenyl oxazole and thiazole compounds and methods for their preparation are disclosed. These compounds, and their salts exhibit cardioselective .beta.-adrenergic blocking activity, and are useful as antihypertensive, cardioprotective, antiarrhythmic and antianginal agents.

  本发明揭示了一种代替氨基羟丙氧基苯并噁唑和噻唑化合物的小说及其制备方法。这些化合物及其盐表现出心脏选择性β-肾上腺素能阻滞活性，并且可用作降压、心脏保护、抗心律失常和抗心绞痛药物。
• .beta.-blocking substituted imidazoles
  申请人：Merck & Co., Inc.

  公开号：US04853383A1

  公开（公告）日：1989-08-01

  Novel substituted imidazoles and methods for their preparation are disclosed. These imidazoles, and their salts, exhibit pharmacological activity which includes antihypertensive activity and .beta.-adrenergic blocking activity.

  本发明揭示了一种新型替代咪唑并其制备方法。这些咪唑及其盐具有药理活性，包括抗高血压活性和β-肾上腺素能阻滞活性。
• .beta.-adrenergic blocking imidazolylphenoxy propanolamines
  申请人：Merck & Co., Inc.

  公开号：US04642311A1

  公开（公告）日：1987-02-10

  Substituted imidazoles and methods for their preparation are disclosed. These imidazoles, and their salts, exhibit pharmacological activity which includes antihypertensive activity and .beta.-adrenergic blocking activity. ##STR1##

  本发明揭示了取代咪唑及其制备方法。这些咪唑及其盐表现出药理活性，包括抗高血压活性和β-肾上腺素能阻滞活性。 ##STR1##