4-[4-(4-benzyl-1-piperazinyl)phenyl]-3(2H,4H)-1,2,4-triazolone | 155431-45-1

• 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: 4-[4-(4-benzyl-1-piperazinyl)phenyl]-3(2H,4H)-1,2,4-triazolone
• 英文别名: 4-[4-(4-benzylpiperazin-1-yl)phenyl]-1H-1,2,4-triazol-5-one
• CAS: 155431-45-1
• 化学式: C₁₉H₂₁N₅O
• 分子量: 335.409
• InChiKey: PWFITTNIUBBWKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 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：

  4-[4-(4-benzyl-1-piperazinyl)phenyl]-3(2H,4H)-1,2,4-triazolone 在 tris-(dibenzylideneacetone)dipalladium(0) 、 palladium 10% on activated carbon 、 水 、 氢溴酸 、 氢气 、 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 甲醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 23.0h， 生成 2-Butan-2-yl-4-[4-[4-(4-hydroxy-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：

  N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]hydrazinecarboxamide 、 醋酸甲脒 以 正丁醇 为溶剂， 反应 4.0h， 以86.8%的产率得到4-[4-(4-benzyl-1-piperazinyl)phenyl]-3(2H,4H)-1,2,4-triazolone
  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。
• Production of Di or tri-azolyl substituted 5-keto azole compounds
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05466820A1

  公开（公告）日：1995-11-14

  An azole compound represented by the formula (I): ##STR1## wherein Ar is a substituted phenyl group; R.sup.1 and R.sup.2 independently are a hydrogen atom or a lower alkyl group, or R.sup.1 and R.sup.2 may combine together to form a lower alkylene group; R.sup.3 is a group bonded through a carbon atom; R.sup.4 is a hydrogen atom or an acyl group; X is a nitrogen atom or a methine group; and Y and Z independently are a nitrogen atom or a methine group which may optionally be substituted with a lower alkyl group, or a salt thereof, which is useful for prevention and therapy of fungal infections of mammals as antifungal agent.

  一种以式子（I）表示的唑类化合物：##STR1## 其中Ar是一个取代的苯基；R.sup.1和R.sup.2分别是氢原子或较低的烷基基团，或R.sup.1和R.sup.2可以结合形成较低的烷基烷基基团；R.sup.3是通过碳原子连接的基团；R.sup.4是氢原子或酰基基团；X是氮原子或甲基基团；Y和Z分别是氮原子或甲基基团，可以选择性地用较低的烷基基团取代，或其盐，用作哺乳动物真菌感染的预防和治疗的抗真菌剂。
• Azole compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0567982B1

  公开（公告）日：1998-07-01
• ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0754180A1

  公开（公告）日：1997-01-22
• 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.