3,6-difluoro-9H-xanthene-9-carboxylic acid | 714972-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3,6-difluoro-9H-xanthene-9-carboxylic acid
• CAS: 714972-06-2
• 化学式: C₁₄H₈F₂O₃
• 分子量: 262.213
• InChiKey: JEKKIODENKPYAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-氨基-4-(三氟甲基)恶唑 、 3,6-difluoro-9H-xanthene-9-carboxylic acid 在 H+ 作用下， 生成 3,6-difluoro-9H-xanthene-9-carboxylic acid (4-trifluoromethyl-oxazol-2-yl)-amide
  参考文献：
  名称：

  Oxazoles as mGluR 1 enhancers

  摘要：

  本发明涉及如规范和权利要求中所定义的羧酰胺衍生物，其制备过程，包含它们的制药组合物及其作为mGluR1增强剂在治疗和预防神经系统疾病和疾病（例如阿尔茨海默病和痴呆症）中的用途。

  公开号：

  US20040132792A1
• 作为产物：
  描述：

  2-bromo-3,6-difluoro-9H-xanthene-9-carboxylic acid 在 5%-palladium/activated carbon 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 3,6-difluoro-9H-xanthene-9-carboxylic acid
  参考文献：
  名称：

  Fluorinated 9H-xanthene-9-carboxylic acid oxazol-2-yl-amides as potent, orally available mGlu1 receptor enhancers

  摘要：

  Small molecule mGluR1 enhancers, which are 9H-xanthene-9-carboxylic acid [ 1,2,4] oxadiazol-3-yl- and (2H-tetrazol-5-yl)-amides, have been previously reported. Fluorinated 9H-xanthene-9-carboxylic acid oxazol-2-yl-amides with improved pharmacokinetic properties have been designed and synthesized as useful pharmacological tools for the study of the physiological roles mediated by mGlu1 receptors. The synthesis and the structure-activity relationship of this class of positive allosteric modulators of mGlu1 receptors will be discussed in detail. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.108

文献信息

• Oxazoles as mGluR 1 enhancers
  申请人：——

  公开号：US20040132792A1

  公开（公告）日：2004-07-08

  The invention relates to carboxamide derivatives as defined in the specification and claims, to a process for their preparation, to pharmaceutical compositions comprising them and to their use as mGluR1 enhancers in the treatment and prevention of neurological disorders and diseases, such as Alzheimer's disease and dementia.

  本发明涉及如规范和权利要求中所定义的羧酰胺衍生物，涉及它们的制备方法，包括它们的制药组合物以及它们作为mGluR1增强剂在治疗和预防神经系统疾病和疾病，如阿尔茨海默病和痴呆症中的用途。
• Oxazoles as mGluR1 enhancers
  申请人：Hoffmann-La Roche Inc.

  公开号：US07119113B2

  公开（公告）日：2006-10-10

  The invention relates to carboxamide derivatives as defined in the specification and claims, to a process for their preparation, to pharmaceutical compositions comprising them and to their use as mGluR1 enhancers in the treatment and prevention of neurological disorders and diseases, such as Alzheimer's disease and dementia.

  本发明涉及如规范和权利要求所定义的羧酰胺衍生物，以及它们的制备方法，包括它们的制药组合物和它们作为mGluR1增强剂在神经系统疾病和疾病的治疗和预防中的使用，如阿尔茨海默病和痴呆症。
• OXAZOLES AS MGLUR1 ENHANCER
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1578746A1

  公开（公告）日：2005-09-28
• US7119113B2
  申请人：——

  公开号：US7119113B2

  公开（公告）日：2006-10-10
• [EN] OXAZOLES AS MGLUR1 ENHANCER<br/>[FR] OXAZOLES UTILISES EN TANT QU'ACTIVATEUR DU RECEPTEUR MGLUR1
  申请人：HOFFMANN LA ROCHE

  公开号：WO2004056814A1

  公开（公告）日：2004-07-08

  The invention relates to carboxamide derivatives as defined in the specification and claims, to a process for their preparation, to pharmaceutical compositions comprising them and to their use as mGluR1 enhancers in the treatment and prevention of neurological disorders and diseases.