[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(2-trifluoromethylphenyl)methanone | 838828-27-6

• 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-(6-chloropyridazin-3-yl)piperazin-1-yl]-(2-trifluoromethylphenyl)methanone
• 英文别名: [4-(6-Chloropyridazin-3-yl)piperazin-1-yl]-(2-trifluoromethylphenyl)methanone；[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
• CAS: 838828-27-6
• 化学式: C₁₆H₁₄ClF₃N₄O
• 分子量: 370.762
• InChiKey: PQADYWODKHLBRB-UHFFFAOYSA-N

物化性质

• 沸点：
  565.6±50.0 °C(Predicted)
• 密度：
  1.416±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  49.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(2-trifluoromethylphenyl)methanone 、 氰化锌 在 tris-(dibenzylideneacetone)dipalladium(0) 1,1'-bis(diphenylphosphino)ferrocene 、 锌 作用下， 以 异丁酰胺 为溶剂， 以59%的产率得到6-[4-(2-trifluoromethylbenzoyl)piperazin-1-yl]pyridazine-3-carbonitrile
  参考文献：
  名称：

  [EN] HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS
  [FR] DERIVES HETEROCYCLIQUES ET LEUR UTILISATION EN TANT QU'AGENTS THERAPEUTIQUES

  摘要：

  公开号：

  WO2006034440A3
• 作为产物：
  描述：

  1-(6-氯哒嗪-3-基)哌嗪 、 2-三氟甲基苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以79%的产率得到[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(2-trifluoromethylphenyl)methanone
  参考文献：
  名称：

  [EN] HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS
  [FR] DERIVES HETEROCYCLIQUES ET LEUR UTILISATION EN TANT QU'AGENTS THERAPEUTIQUES

  摘要：

  公开号：

  WO2006034440A3

文献信息

• Pyridazine derivatives and their use as therapeutic agents
  申请人：Gschwend W. Heinz

  公开号：US20060205713A1

  公开（公告）日：2006-09-14

  Methods of treating an SCD-mediated disease or condition in a mammal, preferably a human, are disclosed, wherein the methods comprise administering to a mammal in need thereof a compound of formula (I): where x, y, W, V, R 2 , R 3 , R 4 , R 5 , R 6 , R 6a , R 7 , R 7a , R 8 , R 8a , R 9 and R 9a are defined herein. Pharmaceutical compositions comprising the compounds of formula (I) are also disclosed.

  本文披露了一种治疗哺乳动物，特别是人类SCD介导的疾病或状况的方法，其中方法包括向需要治疗的哺乳动物中给予式(I)的化合物：其中x，y，W，V，R2，R3，R4，R5，R6，R6a，R7，R7a，R8，R8a，R9和R9a在此定义。还披露了包含式(I)化合物的药物组合物。
• Heterocyclic Derivatives and Their Use as Stearoyl-Coa Desaturase Inhibitors
  申请人：Kamboj Rajender

  公开号：US20080096895A1

  公开（公告）日：2008-04-24

  Methods of treating an SCD-mediated disease or condition in a mammal, preferably a human, are disclosed, wherein the methods comprise administering to a mammal in need thereof a compound of formula (I): where x, y, G, J, K, L, M, V R 2 , R 3 , R 4 , R 5 , R 5a , R 6 , R 6a , R 7 , R 7a , R 8 and R 8a are defined herein. Pharmaceutical compositions comprising the compounds of formula (I) are also disclosed.

  本文披露了一种治疗哺乳动物（最好是人类）SCD介导的疾病或病症的方法，其中方法包括向需要该方法的哺乳动物施用式（I）的化合物：其中x、y、G、J、K、L、M、V、R2、R3、R4、R5、R5a、R6、R6a、R7、R7a、R8和R8a在本文中有定义。本文还披露了包含式（I）化合物的药物组合物。
• Heterocyclic derivatives and their use as stearoyl-CoA desaturase inhibitors
  申请人：Xenon Pharmaceuticals Inc.

  公开号：US07767677B2

  公开（公告）日：2010-08-03

  Methods of treating an SCD-mediated disease or condition in a mammal, preferably a human, are disclosed, wherein the methods comprise administering to a mammal in need thereof a compound of formula (I): where x, y, G, J, K, L, M, V R2, R3, R4, R5, R5a, R6, R6a, R7, R7a, R8 and R8a are defined herein. Pharmaceutical compositions comprising the compounds of formula (I) are also disclosed.

  本发明揭示了治疗哺乳动物，尤其是人类SCD介导的疾病或病况的方法，其中该方法包括向需要该药物的哺乳动物内给予化合物(I)的方法，其中化合物(I)的公式如下：其中x、y、G、J、K、L、M、V、R2、R3、R4、R5、R5a、R6、R6a、R7、R7a、R8和R8a在此定义。本发明还揭示了包含化合物(I)的制药组合物。
• Pyridazine derivatives and their use as inhibitors of stearoyl-CoA desaturase-1 activity in a mammal
  申请人：Xenon Pharmaceuticals Inc.

  公开号：US08148378B2

  公开（公告）日：2012-04-03

  A method of treating an SCD-mediated disease or condition in a mammal, preferably a human, includes administering to a mammal a compound of formula (I): where x, y, W, V, R2, R3, R4, R5, R6, R6a, R7, R7a, R8, R8a, R9 and R9a are defined herein. The SCD-mediated disease or condition may be selected from the group consisting of Type II diabetes, impaired glucose tolerance, insulin resistance, obesity, fatty liver, non-alcoholic steatohepatitis, dyslipidemia, metabolic syndrome, acne, cardiovascular disease, hypertriglyceridemia, inflammation, cancer, and any combination of these.

  一种治疗哺乳动物（最好是人类）SCD介导的疾病或病情的方法，包括向哺乳动物投药化合物I的配方：其中x、y、W、V、R2、R3、R4、R5、R6、R6a、R7、R7a、R8、R8a、R9和R9a在此定义。SCD介导的疾病或病情可以从以下组合中选择：II型糖尿病、糖耐量受损、胰岛素抵抗、肥胖、脂肪肝、非酒精性脂肪肝炎、血脂异常、代谢综合征、痤疮、心血管疾病、高甘油三酯血症、炎症、癌症以及这些疾病的任何组合。
• PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS
  申请人：Gschwend Heinz W.

  公开号：US20090197890A1

  公开（公告）日：2009-08-06

  A method of treating an SCD-mediated disease or condition in a mammal, preferably a human, includes administering to a mammal a compound of formula (I): where x, y, W, V, R 2 , R 3 , R 4 , R 5 , R 6 , R 6a , R 7 , R 7a , R 8 , R 8a , R 9 and R 9a are defined herein. The SCD-mediated disease or condition may be selected from the group consisting of Type II diabetes, impaired glucose tolerance, insulin resistance, obesity, fatty liver, non-alcoholic steatohepatitis, dyslipidemia, metabolic syndrome, acne, cardiovascular disease, hypertriglyceridemia, inflammation, cancer, and any combination of these

  一种治疗哺乳动物（最好是人类）SCD介导的疾病或病况的方法，包括向哺乳动物（人类）投与式(I)的化合物，其中x，y，W，V，R2，R3，R4，R5，R6，R6a，R7，R7a，R8，R8a，R9和R9a在此定义。SCD介导的疾病或病况可以从以下组中选择：II型糖尿病，糖耐量受损，胰岛素抵抗，肥胖，脂肪肝，非酒精性脂肪性肝炎，血脂异常，代谢综合征，痤疮，心血管疾病，高三酰甘油血症，炎症，癌症，以及这些的任何组合。