3,5-difluoro-4-piperazin-1-yl-benzonitrile trifluoro-acetic acid | 847972-35-4

• 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: 3,5-difluoro-4-piperazin-1-yl-benzonitrile trifluoro-acetic acid
• 英文别名: 3,5-Difluoro-4-piperazin-1-ylbenzonitrile;2,2,2-trifluoroacetic acid
• CAS: 847972-35-4
• 化学式: C₂HF₃O₂*C₁₁H₁₁F₂N₃
• 分子量: 337.249
• InChiKey: IUIOOSQAGFHUAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.88
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  76.4
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• Benzoyl-piperazine derivatives
  申请人：Jolidon J. Synese

  公开号：US20050209241A1

  公开（公告）日：2005-09-22

  The invention relates to compounds of formula wherein the substituents are described herein. The compounds may be used in the treatment of illnesses based on the glycine uptake inhibitor, such as psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia and other diseases in which cognitive processes are impaired, such as attention deficit disorders or Alzheimer's disease.

  本发明涉及具有以下通式的化合物 其中取代基如本文所述。这些化合物可用于治疗基于抑制甘氨酸摄取的疾病，如精神疾病、疼痛、记忆和学习方面的神经退行性功能障碍、精神分裂症、痴呆症以及认知过程受损的其他疾病，例如注意力缺陷障碍或阿尔茨海默病。
• [EN] 1- (2-AMINO-BENZOL) -PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES<br/>[FR] DERIVES DE 1-(2-AMINO-BENZOL)-PIPERAZINE EN TANT QU'INHIBITEURS DE L'ABSORPTION DU GLYCOCOLLE POUR TRAITER DES PSYCHOSES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005023260A1

  公开（公告）日：2005-03-17

  A compound of formula (I) wherein the substituents are described in claim 1 for the treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia and other diseases in which cognitive processes are impaired, such as attention deficit disorders or Alzheimer's disease.

  具有式（I）的化合物，其中取代基如权利要求1中所述，用于治疗精神病、疼痛、记忆和学习中的神经退行性功能障碍、精神分裂症、痴呆症以及认知过程受损的其他疾病，如注意力缺陷障碍或阿尔茨海默病。
• [EN] COMPOUNDS WITH PGD2 ANTAGONIST ACTIVITY<br/>[FR] COMPOSES A ACTIVITE ANTAGONISTE DE PGD2
  申请人：OXAGEN LTD

  公开号：WO2005040112A1

  公开（公告）日：2005-05-06

  Compounds of general formula (I); wherein R1, R2, R3 and R4 are independently hydrogen, halo, -C1-C6 alkyl, -O(C1-C6 alkyl), -C1-C6 alkyl(C3-C7 cycloalkyl), -CON(R9)2, -SOR9, -S02R9. -S02N(R9)2, -N(R9)2, -NR9OR9, -C02R9, COR9, -SR9, -OH, -N02 or -CN; each R9 independently hydrogen or C1-C6 alkyl; R5 and R6 are each independently hydrogen, or C1-C6 alkyl or together with the carbon atom to which they are attached form a C3-C7 cycloalkyl. group; R7 is hydrogen or C1-C6 alkyl; R8 is C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl or an aromatic moiety, any of which may optionally be substituted with one or more substituents selected from halo, -SOR13 -S02R13, -R14, -OR14, -CON(R14)2 -SOR14, -S02R14, -S02N(R14) -SO2N(R14)2, -N(R 14)2, NR14COR14, -CO2R14, COR14, -SR14, -N02 or -CN; wherein R13 is a 5 to 7 membered heterocyclic ring; and each R14 is independently hydrogen, alkyl or aryl, the aryl being optionally substituted by -R9, -OR9, -CON(R9)2, -SOR9 -S02R9, -S02N(R9)2, -N(R9)2, NR9COR9, -C02R9, -COR9, -SR9, halo, -N02 or -CN; wherein R9 is as defined above; provided that when R1 , R3 and R4 are hydrogen and R2 is hydrogen, halogen or -O(C1-C6)alkyl, R8 is not unsubstituted phenyl or phenyl substituted by halo, C1-C6 alkyl, -O(C1-C6)alkyl, -S(C1-C6)alkyl or -CO(C1-C6)alkyl; or pharmaceutically acceptable salts, hydrates, solvates, compexes or prodrugs therof are useful in the treatment of allergic diseases such as asthma, allergic rhinitis and atopic dermatitis.

  通式（I）的化合物；其中R1、R2、R3和R4独立地是氢、卤素、-C1-C6烷基、-O(C1-C6烷基)、-C1-C6烷基(C3-C7环烷基)、-CON(R9)2、-SOR9、-S02R9、-S02N(R9)2、-N(R9)2、-NR9OR9、-C02R9、COR9、-SR9、-OH、-N02或-CN；每个R9独立地是氢或C1-C6烷基；R5和R6独立地是氢或C1-C6烷基，或者与它们连接的碳原子一起形成一个C3-C7环烷基基团；R7是氢或C1-C6烷基；R8是C1-C6烷基、C2-C6烯基、C2-C6炔基或芳香基，其中任何一个可以选择地被一个或多个卤素、-SOR13、-S02R13、-R14、-OR14、-CON(R14)2、-SOR14、-S02R14、-S02N(R14)、-SO2N(R14)2、-N(R14)2、NR14COR14、-CO2R14、COR14、-SR14、-N02或-CN的取代基取代；其中R13是一个含有5至7个成员的杂环；每个R14独立地是氢、烷基或芳基，芳基可以选择地被-R9、-OR9、-CON(R9)2、-SOR9、-S02R9、-S02N(R9)2、-N(R9)2、NR9COR9、-C02R9、-COR9、-SR9、卤素、-N02或-CN取代；其中R9如上所定义；但是当R1、R3和R4是氢且R2是氢、卤素或-O(C1-C6)烷基时，R8不是未取代的苯基或被卤素、C1-C6烷基、-O(C1-C6)烷基、-S(C1-C6)烷基或-CO(C1-C6)烷基取代的苯基；或者其药学上可接受的盐、水合物、溶剂合物或前药在治疗过敏性疾病，如哮喘、过敏性鼻炎和特应性皮炎中有用。
• [EN] PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS<br/>[FR] PIPERAZINE AVEC GROUPE PHENYLE SUBSTITUE DE TYPE OR ET LEUR UTILISATION COMME INHIBITEURS DE GLYT1
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005014563A1

  公开（公告）日：2005-02-17

  The invention relates to compounds of formula (I) wherein the substituents are described in claim 1. The compounds may be used in the treatment of illnesses based on the glycine uptake inhibitor, such as psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia and other diseases in which cognitive processes are impaired, such as attention deficit disorders or Alzheimer's disease.

  该发明涉及式（I）化合物，其中取代基如权利要求书中所述。这些化合物可用于治疗基于甘氨酸摄取抑制剂的疾病，如精神病、疼痛、记忆和学习中的神经退行性功能障碍、精神分裂症、痴呆症以及其他认知过程受损的疾病，如注意力缺陷障碍或阿尔茨海默病。
• BENZOYL-PIPERAZINE DERIVATIVES
  申请人：Jolidon Synese

  公开号：US20080119486A1

  公开（公告）日：2008-05-22

  The invention relates to compounds of formula wherein the substituents are described herein. The compounds may be used in the treatment of illnesses based on the glycine uptake inhibitor, such as psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia and other diseases in which cognitive processes are impaired, such as attention deficit disorders or Alzheimer's disease.

  本发明涉及化合物的公式，其中取代基如下所述。该化合物可用于治疗基于甘氨酸摄取抑制剂的疾病，例如精神病、疼痛、记忆和学习中的神经退行性功能障碍、精神分裂症、痴呆和其他认知过程受损的疾病，例如注意力缺陷障碍或阿尔茨海默病。