(S)-2-{4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl}-4-(trifluoromethyl)imidazole | 85648-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (S)-2-{4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl}-4-(trifluoromethyl)imidazole
• 英文别名: (2S)-1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
• CAS: 85648-06-2
• 化学式: C₁₆H₁₈F₃N₃O₂
• 分子量: 341.333
• InChiKey: RCTCJGLBICXHON-LBPRGKRZSA-N

物化性质

• 熔点：
  169-171 °C(Solv: acetonitrile (75-05-8))
• 沸点：
  577.2±50.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  70.2
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (S)-p-<3-(cyclopropylamino)-2-hydroxypropoxy>benzaldehyde 生成 (S)-2-{4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl}-4-(trifluoromethyl)imidazole
  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

• .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##

  公开了取代咪唑和其制备方法。这些咪唑及其盐表现出药理活性，包括降压活性和β-肾上腺素受体阻滞活性。
• .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.

  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-肾上腺素能阻断活性。
• .beta.1-Selective adrenoceptor antagonists: examples of the 2-[4-[3-(substituted-amino)-2-hydroxypropoxy]phenyl]imidazole class
  作者：John J. Baldwin、George H. Denny、Ralph Hirschmann、Mark B. Freedman、Gerald S. Ponticello、Dennis M. Gross、Charles S. Sweet

  DOI：10.1021/jm00361a004

  日期：1983.7

  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.
• US4440774A
  申请人：——

  公开号：US4440774A

  公开（公告）日：1984-04-03
• US4567276A
  申请人：——

  公开号：US4567276A

  公开（公告）日：1986-01-28