RX 801079 | 94342-74-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: RX 801079
• 英文别名: 2-<2-(2-methyl-1,4-benzodioxanyl)>-2-imidazoline hydrochloride；2-[2-(2-methyl-1,4-benzodioxanyl)]-2-imidazoline hydrochloride；2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrochloride
• CAS: 94342-74-2；103532-80-5；103532-81-6
• 化学式: C₁₂H₁₄N₂O₂*ClH
• 分子量: 254.716
• InChiKey: AOYXKCKXBIJCJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.64
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  42.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  RX 801079 生成 2-(2-Methyl-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazole
  参考文献：
  名称：

  .alpha.-Adrenoreceptor reagents. 4. Resolution of some potent selective prejunctional .alpha.2-adrenoreceptor antagonists

  摘要：

  The resolution of three 2-substituted derivatives of idazoxan is described. The enantiomers show large separations in activity in a variety of in vitro and in vivo tests, and the active isomers are all potent and selective antagonists at the alpha 2-adrenoreceptor. The significance of these results in relation to those published on the enantiomers of idazoxan and to those on optically active alpha 2-adrenoreceptor agonists is discussed.

  DOI：

  10.1021/jm00160a033
• 作为产物：
  描述：

  2-methyl-1,4-benzodioxan-2-carboxylic acid 在 盐酸 、 ammonium hydroxide 、 氯化亚砜 、 sodium methylate 、 phosphorus pentoxide 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 40.0h， 生成 RX 801079
  参考文献：
  名称：

  .alpha.-Adrenoreceptor reagents. 3. Synthesis of some 2-substituted 1,4-benzodioxans as selective presynaptic .alpha.2-adrenoreceptor antagonists

  摘要：

  The synthesis and pharmacological activity of a series of 2-substituted derivatives of the selective alpha 2-adrenoreceptor antagonist idazoxan (RX 781094) is described. Substitution in this position by alkyl, alkenyl, cycloalkenyl, and alkoxy groups in many cases gives compounds whose potencies and selectivities are significantly greater than those of the parent compound.

  DOI：

  10.1021/jm00146a013

文献信息

• Imidazoline derivatives, process for the preparation thereof, pharmaceutical compositions containing them and their use
  申请人：RECKITT AND COLMAN PRODUCTS LIMITED

  公开号：EP0058006B1

  公开（公告）日：1985-04-10
• MYERS, P. L.;CHAPLEO, C. B.
  作者：MYERS, P. L.、CHAPLEO, C. B.

  DOI：——

  日期：——
• STILLINGS, M. R.;CHANLEO, CH. B.;BUTLER, R. C. M.;DAVIS, J. A.;ENGLAND, C+, J. MED. CHEM., 1985, 28, N 8, 1054-1062
  作者：STILLINGS, M. R.、CHANLEO, CH. B.、BUTLER, R. C. M.、DAVIS, J. A.、ENGLAND, C+

  DOI：——

  日期：——
• US4397860A
  申请人：——

  公开号：US4397860A

  公开（公告）日：1983-08-09