2(5-Chloro-2-methoxyphenyl)-2,4-dihydro-5-[4-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one | 202823-17-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2(5-Chloro-2-methoxyphenyl)-2,4-dihydro-5-[4-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one
• 英文别名: 2-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-one
• CAS: 202823-17-4
• 化学式: C₁₆H₁₁ClF₃N₃O₂
• 分子量: 369.73
• InChiKey: DWCFMSHIEKCINR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  53.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2(5-Chloro-2-methoxyphenyl)-2,4-dihydro-5-[4-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 (1-(5-chloro-2-hydroxyphenyl)-3-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-5(4H)-one)
  参考文献：
  名称：

  The synthesis and structure–activity relationships of 1,3-diaryl 1,2,4-(4 H )-triazol-5-ones: A new class of calcium-dependent, large conductance, potassium (maxi-k) channel opener targeted for urge urinary incontinence

  摘要：

  A series of 1,3-diaryl 1,2,4-(4H)-triazol-5-ones was prepared and shown by electrophysiological analysis to activate a cloned maxi-K channel mSlo (or hSlo) expressed in Xenopus laevis oocytes. The effects of these structurally novel maxi-K channel openers on bladder contractile function were studied in vitro using isolated rat bladder strips pre-contracted with carbachol. Several 1,3-diaryl l,2,4-(4H)-triazol-5-one derivatives were found to be potent smooth muscle relaxants but this activity did not completely correlate with maxi-K channel opening. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00099-9
• 作为产物：
  描述：

  在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成 2(5-Chloro-2-methoxyphenyl)-2,4-dihydro-5-[4-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one
  参考文献：
  名称：

  The synthesis and structure–activity relationships of 1,3-diaryl 1,2,4-(4 H )-triazol-5-ones: A new class of calcium-dependent, large conductance, potassium (maxi-k) channel opener targeted for urge urinary incontinence

  摘要：

  A series of 1,3-diaryl 1,2,4-(4H)-triazol-5-ones was prepared and shown by electrophysiological analysis to activate a cloned maxi-K channel mSlo (or hSlo) expressed in Xenopus laevis oocytes. The effects of these structurally novel maxi-K channel openers on bladder contractile function were studied in vitro using isolated rat bladder strips pre-contracted with carbachol. Several 1,3-diaryl l,2,4-(4H)-triazol-5-one derivatives were found to be potent smooth muscle relaxants but this activity did not completely correlate with maxi-K channel opening. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00099-9

文献信息

• US5869509A
  申请人：——

  公开号：US5869509A

  公开（公告）日：1999-02-09
• US6077861A
  申请人：——

  公开号：US6077861A

  公开（公告）日：2000-06-20
• US6271249B1
  申请人：——

  公开号：US6271249B1

  公开（公告）日：2001-08-07