5-[4-(2-Trifluoromethyl-benzoyl)-piperazin-1-yl]-[1,3,4]thiadiazole-2-carboxylic acid pentylamide | 881384-13-0

• 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: 5-[4-(2-Trifluoromethyl-benzoyl)-piperazin-1-yl]-[1,3,4]thiadiazole-2-carboxylic acid pentylamide
• 英文别名: 5-[4-(2-trifluoromethylbenzoyl)piperazin-1-yl]-[1,3,4]thiadiazole-2-carboxylic acid pentylamide；N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide
• CAS: 881384-13-0
• 化学式: C₂₀H₂₄F₃N₅O₂S
• 分子量: 455.504
• InChiKey: HNWFOZVENMGHCT-UHFFFAOYSA-N

物化性质

• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  5-[4-(2-Trifluoromethylbenzoyl)piperazin-1-yl]-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester 、 1-氨基戊烷 在 氰化钠 作用下， 反应 16.0h， 以77%的产率得到5-[4-(2-Trifluoromethyl-benzoyl)-piperazin-1-yl]-[1,3,4]thiadiazole-2-carboxylic acid pentylamide
  参考文献：
  名称：

  Heterocyclic Derivatives for the Treatment of Diseases Mediated by Stearoyl-Coa Desaturase Enzymes

  摘要：

  本发明揭示了治疗哺乳动物，尤其是人类患有SCD介导的疾病或症状的方法，其中该方法包括向需要治疗的哺乳动物投与式(I)的化合物，其中式(I)中的x、y、G、J、K、L、M、W、V、R2、R3、R5、R5a、R6、R6a、R7、R7a、R8和R8a在此处有定义。还揭示了包含式(I)的化合物的药物组合物。

  公开号：

  US20080108629A1

文献信息

• Heterocyclic derivatives for the treatment of diseases mediated by stearoyl-CoA desaturase enzymes
  申请人：Xenon Pharmaceuticals Inc.

  公开号：US07919496B2

  公开（公告）日：2011-04-05

  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, W, V, R2, R3, R5, R5a, R6, R6a, R7, R7a, R8 and R8a are defined herein. Pharmaceutical compositions comprising the compounds of formula (I) are also disclosed.

  本发明揭示了一种治疗哺乳动物，尤其是人类SCD介导疾病或病症的方法，其中该方法包括向需要该方法的哺乳动物中给予化合物(I)的组合物：其中x、y、G、J、K、L、M、W、V、R2、R3、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)的药物组合物。
• Heterocyclic derivatives for the treatment of diseases mediated by stearoyl-coa desaturase enzymes
  申请人：Xenon Pharmaceuticals Inc.

  公开号：EP2289510A1

  公开（公告）日：2011-03-02

  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, W, V, R2, R3, R5, R5a, R6, R6a, R7, R7a, R8 and R8a are defined herein. Pharmaceutical compositions comprising the compounds of formula (I) are also disclosed.

  公开了治疗哺乳动物（优选人类）SCD 介导的疾病或病症的方法，其中所述方法包括向有需要的哺乳动物施用式 (I) 化合物： 其中 x、y、G、J、K、L、M、W、V、R2、R3、R5、R5a、R6、R6a、R7、R7a、R8 和 R8a 在本文中定义。 还公开了包含式（I）化合物的药物组合物。
• HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY STEAROYL-COA DESATURASE ENZYMES
  申请人：Xenon Pharmaceuticals Inc.

  公开号：EP1830837B1

  公开（公告）日：2013-09-04
• US7919496B2
  申请人：——

  公开号：US7919496B2

  公开（公告）日：2011-04-05
• [EN] HETEROCYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS<br/>[FR] DERIVES HETEROCYCLIQUES ET UTILISATION DE CEUX-CI COMME AGENTS THERAPEUTIQUES
  申请人：XENON PHARMACEUTICALS INC

  公开号：WO2006034315A2

  公开（公告）日：2006-03-30

  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, W, V, R2, R3, R5, R5a, R6, R6a, R7, R7a, R8 and R8a are defined herein. Pharmaceutical compositions comprising the compounds of formula (I) are also disclosed.