3-methyl-4-oxo-2-phenyl-8-{3-[4-(2-trifluoromethanesulphonyloxyphenyl)-1-piperazinyl]-propylcarbamoyl}-4H-1-benzopyran | 335087-82-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 3-methyl-4-oxo-2-phenyl-8-{3-[4-(2-trifluoromethanesulphonyloxyphenyl)-1-piperazinyl]-propylcarbamoyl}-4H-1-benzopyran
• 英文别名: 8-{3-[4-(2-trifluoromethanesulphonyloxyphenyl)-1-piperazinyl]-propylcarbamoyl}-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran；[2-[4-[3-[(3-Methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propyl]piperazin-1-yl]phenyl] trifluoromethanesulfonate
• CAS: 335087-82-6
• 化学式: C₃₁H₃₀F₃N₃O₆S
• 分子量: 629.657
• InChiKey: QDEMYUDOBJGGHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  44
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• BENZOPYRAN DERIVATIVES
  申请人：RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a.

  公开号：EP1222183B1

  公开（公告）日：2003-04-23
• US6403594B1
  申请人：——

  公开号：US6403594B1

  公开（公告）日：2002-06-11
• [EN] BENZOPYRAN DERIVATIVES<br/>[FR] DERIVES DE BENZOPYRANE
  申请人：RECORDATI CHEM PHARM

  公开号：WO2001029022A1

  公开（公告）日：2001-04-26

  Benzopyran derivatives (I) (R = phenyl, alkoxycarbonyl, alkylcarbonyl, CONH2, CONH(alkyl), CON(alkyl)2, CN or alkoxycarbonylamino; R2 = alkyl, alkoxy, polyfluoroalkoxy, OH or CF3SO2O; each of R4 and R5 independently = H, halogen, polyfluoroalkyl, polyfluoroalkoxy, CN or CONH2; n is 0, 1 or 2; but if R = Ph and both of R4 and R5 = H or hologen atoms, then R2 = polyfluoroalkoxy or CF3SO2O) and their N-oxides and pharmaceutically acceptable salts are endowed with adrenergic antagonist activity and, in particular, with high selectivity for the α1-adrenergic receptor as compared to the 5-HT1A receptor. This activity profile suggests the use of these benzopyran derivatives in the treatment of obstructive syndromes of the lower urinary tract, including BPH, without side-effects associated with hypotensive activity.