4-(4-Bromophenyl)-2-butan-2-yl-5-methyl-1,2,4-triazol-3-one

• 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)-2-butan-2-yl-5-methyl-1,2,4-triazol-3-one
• 化学式: C₁₂H₁₄BrO₃Pol
• 分子量: 310.19
• InChiKey: GPGDOHUNANRTQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  4-(4-Bromophenyl)-2-butan-2-yl-5-methyl-1,2,4-triazol-3-one 、 4-(2-Methyl-4-piperazin-1-ylphenyl)-2-(1-phenylethyl)-1,2,4-triazol-3-one;hydrochloride 在 tris-(dibenzylideneacetone)dipalladium(0) 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 sodium t-butanolate 、 三异丙基硅烷 、 三氟乙酸 作用下， 以 甲苯 、 二氯甲烷 为溶剂， 反应 8.0h， 生成
  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：

  Methyl 2-[(dimethylamino)methylene]hydrazinecarboxylate 、 2-溴-1,1-二乙氧基乙烷 在 camphor-10-sulfonic acid 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 生成 4-(4-Bromophenyl)-2-butan-2-yl-5-methyl-1,2,4-triazol-3-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

• 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.
• US7504400B2
  申请人：——

  公开号：US7504400B2

  公开（公告）日：2009-03-17
• US7816360B2
  申请人：——

  公开号：US7816360B2

  公开（公告）日：2010-10-19
• [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。