伊曲康唑杂质12 | 308361-47-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 伊曲康唑杂质12
• 英文名称: 2-(2-butyl)-4-[4-(piperazin-1-yl)phenyl]-2H-1,2,4-triazol-3-one
• 英文别名: 2-Butan-2-yl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one
• CAS: 308361-47-9
• 化学式: C₁₆H₂₃N₅O
• 分子量: 301.392
• InChiKey: DHSPCAYTGLOGHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  伊曲康唑杂质12 在 tris-(dibenzylideneacetone)dipalladium(0) 、 水 、 氢溴酸 、 sodium hydroxide 、 sodium t-butanolate 、 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 15.0h， 生成 2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-3-methylphenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
  参考文献：
  名称：

  [EN] SMALL MOLECULE INHIBITORS OF FIBROSIS
  [FR] INHIBITEURS DE FIBROSE À PETITES MOLÉCULES

  摘要：

  本文描述了用于治疗纤维化疾病的化合物和组合物。

  公开号：

  WO2014197738A1
• 作为产物：
  描述：

  4-[4-(4-Benzylpiperazin-1-yl)phenyl]-2-butan-2-yl-1,2,4-triazol-3-one 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 以67.5%的产率得到伊曲康唑杂质12
  参考文献：
  名称：

  [EN] SMALL MOLECULE INHIBITORS OF FIBROSIS
  [FR] INHIBITEURS DE FIBROSE À PETITES MOLÉCULES

  摘要：

  本文描述了用于治疗纤维化疾病的化合物和组合物。

  公开号：

  WO2016094570A1

文献信息

• [EN] MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES<br/>[FR] PIPERIDINES D'ARYLE OU PIPERAZINES SUBSTITUEES PAR DES HETEROCYCLES A 5 RAMIFICATIONS INHIBANT LA MTP
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005085226A1

  公开（公告）日：2005-09-15

  The present invention is concerned with novel aryl piperidine or piperazine compounds substituted with certain 5-membered heterocycles having apoB secretion/MTP inhibiting activity and concomitant lipid lowering activity. The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use of said compounds as a medicine for the treatment of hyperlipidemia, obesity and type II diabetes (Formula (I)). The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use of said compounds as a medicine for the treatment of atherosclerosis, pancreatitis, obesity, hyper­triglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and type II diabetes.

  本发明涉及新颖的芳基哌啶或哌嗪化合物，其被某些含有apoB分泌/MTP抑制活性和伴随的降脂活性的5-成员杂环取代。该发明还涉及制备这种化合物的方法，包括所述化合物的药物组合物以及将所述化合物用作治疗高脂血症、肥胖症和2型糖尿病的药物的用途（公式（I））。该发明还涉及制备这种化合物的方法，包括所述化合物的药物组合物以及将所述化合物用作治疗动脉粥样硬化、胰腺炎、肥胖症、高甘油三酯血症、高胆固醇血症、高脂血症、糖尿病和2型糖尿病的药物的用途。
• SMALL MOLECULE INHIBITORS OF FIBROSIS
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20160130258A1

  公开（公告）日：2016-05-12

  Described herein are compounds and compositions for the treatment of a fibrotic disease.

  本文介绍了用于治疗纤维化疾病的化合物和组合物。
• NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS
  申请人：Naeja Pharmaceutical Inc.

  公开号：EP0889881B1

  公开（公告）日：2003-04-23
• 2H-1,2,3-TRIAZOLE DERIVATIVES AS INHIBITORS OF FIBROSIS
  申请人：The Scripps Research Institute

  公开号：EP3003038B1

  公开（公告）日：2019-08-14
• Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles
  申请人：Meerpoel Lieven

  公开号：US20070191383A1

  公开（公告）日：2007-08-16

  The present invention is concerned with novel aryl piperidine or piperazine compounds substituted with certain 5-membered heterocycles having apoB secretion/MTP inhibiting activity and concomitant lipid lowering activity. The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use of said compounds as a medicine for the treatment of hyperlipidemia, obesity and type II diabetes. The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use of said compounds as a medicine for the treatment of atherosclerosis, pancreatitis, obesity, hyper-triglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and type II diabetes.