5-甲基磺酰基-2-吗啉-4-基苯甲酸 | 847971-96-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 5-甲基磺酰基-2-吗啉-4-基苯甲酸
• 英文名称: 5-methanesulfonyl-2-morfolin-4-yl-benzoic acid
• 英文别名: 5-(methylsulfonyl)-2-(4-morpholinyl)benzoic acid；5-methanesulfonyl-2-morpholin-4-yl-benzoic acid；5-(Methanesulfonyl)-2-(morpholin-4-yl)benzoic acid；5-methylsulfonyl-2-morpholin-4-ylbenzoic acid
• CAS: 847971-96-4
• 化学式: C₁₂H₁₅NO₅S
• 分子量: 285.321
• InChiKey: YMDWCKBWJZBWPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  92.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-甲基磺酰基-2-吗啉-4-基苯甲酸 、 N-(ALPHA,ALPHA,ALPHA-三氟对甲苯)哌嗪 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (5-methanesulfonyl-2-morpholin-4-yl-phenyl)-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone
  参考文献：
  名称：

  Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors

  摘要：

  Screening of the Roche compound library led to the identification of the benzoylpiperazine 7 as a structurally novel GlyT1 inhibitor. The SAR which was developed in this series resulted in the discovery of highly potent compounds displaying excellent selectivity against the GlyT2 isoform, drug-like properties, and in vivo efficacy after oral administration. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.086
• 作为产物：
  描述：

  吗啉 、 2-氟-5-甲烷磺酰基苯甲酸 以 1,4-二氧六环 为溶剂， 生成 5-甲基磺酰基-2-吗啉-4-基苯甲酸
  参考文献：
  名称：

  Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors

  摘要：

  Screening of the Roche compound library led to the identification of the benzoylpiperazine 7 as a structurally novel GlyT1 inhibitor. The SAR which was developed in this series resulted in the discovery of highly potent compounds displaying excellent selectivity against the GlyT2 isoform, drug-like properties, and in vivo efficacy after oral administration. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.086

文献信息

• Heterocyclic-substituted phenyl methanones
  申请人：Jolidon Synese

  公开号：US20060178381A1

  公开（公告）日：2006-08-10

  The present invention relates to compounds of formula I wherein R 1 , R 2 , and are defined in the specification and to pharmaceutically acceptable acid addition salts thereof.

  本发明涉及式I的化合物 其中 R 1 ， R 2 ，并在规范中定义，并且其药学上可接受的酸盐。
• Substituted phenyl methanone derivatives
  申请人：Jolidon Synese

  公开号：US20070299071A1

  公开（公告）日：2007-12-27

  The present invention relates to compounds of formula I wherein R 1 , R 2 , R 3 , X, n, and m are as defined herein and to pharmaceutically acceptable acid addition salts thereof, to pharmaceutical compositions containing them, and to methods for treating neurological and neuropsychiatric disorders.

  本发明涉及式I的化合物，其中R1、R2、R3、X、n和m如本文所定义，以及其药学上可接受的酸盐，含有它们的药物组合物，以及治疗神经和神经精神疾病的方法。
• Substituted phenyl methanones
  申请人：Jolidon Synese

  公开号：US20060167023A1

  公开（公告）日：2006-07-27

  The present invention relates to compounds of general formula IA or IB wherein X 1 and X 2 are each independently N or C—R″ and R 1 , R 2 ,R 3 , R 4 , R 5 , and R 6 are as defined in the specification and to pharmaceutically acceptable acid addition salts thereof. The compounds can be used for the treatment of diseases related to the glycine transporter inhibitor, such as schizophrenia and Alzheimer's disease.

  本发明涉及一般式IA或IB的化合物，其中X1和X2分别独立地为N或C—R″，R1、R2、R3、R4、R5和R6如规范中所定义，并且其药学上可接受的酸盐。这些化合物可用于治疗与甘氨酸转运体抑制剂相关的疾病，如精神分裂症和阿尔茨海默病。
• [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。
• Benzoyl-tetrahydropiperidine derivatives
  申请人：Jolidon Synese

  公开号：US20060148797A1

  公开（公告）日：2006-07-06

  The present invention relates to compounds of formula I wherein R 1 , R 2 , and Ar; are as defined in the specification. The invention also provides pharmaceutically acceptable acid addition salts thereof and methods for the treatment of neurological and neuropsychiatric disorders, such as schizophrenia, cognitive impairment, and Alzheimer's disease.

  本发明涉及具有如下式I的化合物，其中R1、R2和Ar如规范中定义的。该发明还提供其药用可接受的酸盐及用于治疗神经和神经精神障碍的方法，例如精神分裂症、认知障碍和阿尔茨海默病。