N-{3-[4-[(5-chloro-2-trifluoromethanesulphonyloxy)-phenyl]-1-piperazinyl]-propyl}-5-methyl-3-phenylisoxazole-4-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-{3-[4-[(5-chloro-2-trifluoromethanesulphonyloxy)-phenyl]-1-piperazinyl]-propyl}-5-methyl-3-phenylisoxazole-4-carboxamide
• 英文别名: N-{3-[4-(5-chloro-2-trifluoromethanesulfonyloxyphenyl)-1-piperazinyl]propyl}-5-methyl-3-phenylisoxazole-4-carboxamide；[4-Chloro-2-[4-[3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propyl]piperazin-1-yl]phenyl] trifluoromethanesulfonate
• 化学式: C₂₅H₂₆ClF₃N₄O₅S
• 分子量: 587.019
• InChiKey: KCYBTMRLZFWKNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  N-{3-[4-(5-Chloro-2-hydroxyphenyl)-1-piperazinyl]-propyl}-5-methyl-3-phenylisoxazole-4-carboxamide 在 N-苯基双(三氟甲烷磺酰)亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 240.0h， 以58%的产率得到N-{3-[4-[(5-chloro-2-trifluoromethanesulphonyloxy)-phenyl]-1-piperazinyl]-propyl}-5-methyl-3-phenylisoxazole-4-carboxamide
  参考文献：
  名称：

  ISOXAZOLECARBOXAMIDE DERIVATIVES

  摘要：

  公开号：

  EP1226131B1

文献信息

• Isoxazolecarboxamide derivatives
  申请人：Recordati, S.A., Chemical and Pharmacueticals Company

  公开号：US06365591B1

  公开（公告）日：2002-04-02

  The invention relates to novel N-(substituted phenyl)-N′-[&ohgr;-(3-substituted phenyl-4-isoxazolecarbonylamino)alkyl]piperazines, their N-oxides, and pharmaceutically acceptable salts thereof. The compounds are endowed with enhanced selectivity for alpha1-adrenergic receptors and a low activity in lowering blood pressure. The compounds are useful in the treatment of obstructive syndromes of the lower urinary tract, including benign prostatic hyperplasia (BPH), and in the treatment of lower urinary tract symptoms (LUTS) and neurogenic lower urinary tract dysfunction (NLUTD), and other conditions.

  该发明涉及新型N-(取代苯基)-N′-[ω-(3-取代苯基-4-异噁唑甲酰胺)烷基]哌嗪，它们的N-氧化物以及其药用可接受的盐。这些化合物具有增强的α1-肾上腺素受体选择性和降低血压活性较低。这些化合物在治疗下尿路梗阻综合征，包括良性前列腺增生（BPH），以及治疗下尿路症状（LUTS）和神经源性下尿路功能障碍（NLUTD）等疾病方面具有用途。
• [EN] ISOXAZOLECARBOXAMIDE DERIVATIVES<br/>[FR] DERIVES D'ISOXAZOLECARBOXAMIDE
  申请人：RECORDATI CHEM PHARM

  公开号：WO2001029015A2

  公开（公告）日：2001-04-26

  Isoxazolecarboxamide derivatives (I) (R=alkyl, alkoxy, polyfluoroalkoxy, OH or CF3SO2O; each of R1 and R2 independently =H, halogen, polyfluoroalkoxy or alkoxy; R3 = one or more substituents selected from H, halogen, alkyl, alkoxy, NO2, NH2, NHacyl, CN, alkoxycarbonyl, carboxamido; R4 = H, alkyl or aralkyl; an n is 0, 1 or 2) and their N-oxides and pharmaceutically acceptable salts are endowed with adrenergic antagonist activity and high selectivity toward the αla adrenergic receptor with respect to the 5-HTlA receptor. This activity profile suggests the use of these derivatives in the treatment of obstructive syndromes of the lower urinary tract, including BPH, without side effects associated with hypotensive activity being present.
• ISOXAZOLECARBOXAMIDE DERIVATIVES
  申请人：RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a.

  公开号：EP1226131B1

  公开（公告）日：2003-12-17