4-(4-bromophenyl)-1-isopropyl-1H-1,2,4-triazol-5(4H)-one | 864932-42-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-bromophenyl)-1-isopropyl-1H-1,2,4-triazol-5(4H)-one
• 英文别名: 4-(4-Bromophenyl)-2-isopropyl-2,4-dihydro-3H-1,2,4-triazol-3-one；4-(4-bromophenyl)-2-propan-2-yl-1,2,4-triazol-3-one
• CAS: 864932-42-3
• 化学式: C₁₁H₁₂BrN₃O
• 分子量: 282.14
• InChiKey: FENHGEUSVDWGFE-UHFFFAOYSA-N

物化性质

• 沸点：
  341.3±44.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  35.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-哌嗪甲酸乙酯 、 4-(4-bromophenyl)-1-isopropyl-1H-1,2,4-triazol-5(4H)-one 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 特戊酸钠 作用下， 以 甲苯 为溶剂， 反应 16.0h， 生成 Ethyl 4-[4-(5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate
  参考文献：
  名称：

  [EN] MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES
  [FR] PIPERIDINES D'ARYLE OU PIPERAZINES SUBSTITUEES PAR DES HETEROCYCLES A 5 RAMIFICATIONS INHIBANT LA MTP

  摘要：

  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。

  公开号：

  WO2005085226A1
• 作为产物：
  描述：

  2-溴丙烷 、 4-(4-溴苯基)-1H-1,2,4-噻唑-5(4H)-酮 在 氢氧化钾 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 0.25h， 生成 4-(4-bromophenyl)-1-isopropyl-1H-1,2,4-triazol-5(4H)-one
  参考文献：
  名称：

  [EN] MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES
  [FR] PIPERIDINES D'ARYLE OU PIPERAZINES SUBSTITUEES PAR DES HETEROCYCLES A 5 RAMIFICATIONS INHIBANT LA MTP

  摘要：

  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。

  公开号：

  WO2005085226A1

文献信息

• [EN] NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME<br/>[FR] NOUVEAUX DÉRIVÉS DE LA TRIAZOLONE OU LEURS SELS ET COMPOSITION PHARMACEUTIQUE LES COMPRENANT
  申请人：YUHAN CORP

  公开号：WO2014175621A1

  公开（公告）日：2014-10-30

  The present invention provides a triazolone derivative or its pharmaceutically acceptable salt, a process for the preparation thereof, and a pharmaceutical composition comprising the same. The triazolone derivative or its pharmaceutically acceptable salt can effectively activate GPR119; and therefore be usefully applied for preventing or treating diabetes mellitus.

  本发明提供了一种三唑酮衍生物或其药用可接受盐，以及其制备方法和包含其的药物组合物。该三唑酮衍生物或其药用可接受盐可以有效激活GPR119；因此，可用于预防或治疗糖尿病。
• FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME
  申请人：YUHAN CORPORATION

  公开号：US20150191478A1

  公开（公告）日：2015-07-09

  The present invention provides a fused ring compound containing furan or a pharmaceutically acceptable salt thereof, a method for preparing same, a pharmaceutical composition comprising same, and a use thereof. The fused ring compound containing furan or a pharmaceutically acceptable salt thereof inhibits the activity of phosphatidylinositol 3-kinase (PI3K) and can therefore be used in a pharmaceutical composition for treating and preventing respiratory diseases, inflammatory diseases, proliferative diseases, cardiovascular diseases, or central nervous system diseases which occur due to the over-activation of PI3K.

  本发明提供一种含有呋喃或其药用可接受盐的融环化合物，以及制备该化合物的方法、包含该化合物的药物组合物和其用途。含有呋喃或其药用可接受盐的融环化合物抑制磷脂酰肌醇3-激酶（PI3K）的活性，因此可用于制备治疗和预防由于PI3K过度活化而引起的呼吸道疾病、炎症性疾病、增殖性疾病、心血管疾病或中枢神经系统疾病的药物组合物。
• NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：YUHAN CORPORATION

  公开号：US20160068515A1

  公开（公告）日：2016-03-10

  Provided is a triazolone derivative or its pharmaceutically acceptable salt, a process for the preparation thereof, and a pharmaceutical composition comprising the same. The triazolone derivative or its pharmaceutically acceptable salt can effectively activate GPR119; and therefore be usefully applied for preventing or treating diabetes mellitus.

  提供了一种三唑酮衍生物或其药学上可接受的盐，以及其制备方法和包含它的制药组合物。该三唑酮衍生物或其药学上可接受的盐可以有效地激活GPR119，因此可用于预防或治疗糖尿病。
• 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.
• MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES
  申请人：Meerpoel Lieven

  公开号：US20100004263A1

  公开（公告）日：2010-01-07

  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, hypertriglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and type II diabetes.