2,2,2-trifluoro-N-[3-(hydroxymethyl)phenyl]-N-(pyrimidin-5-ylmethyl)ethane-sulfonamide | 886211-39-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2,2-trifluoro-N-[3-(hydroxymethyl)phenyl]-N-(pyrimidin-5-ylmethyl)ethane-sulfonamide
• 英文别名: 2,2,2-trifluoro-N-[3-(hydroxymethyl)phenyl]-N-(pyrimidin-5-ylmethyl)ethanesulfonamide
• CAS: 886211-39-8
• 化学式: C₁₄H₁₄F₃N₃O₃S
• 分子量: 361.345
• InChiKey: HMHCQTRXQCGZHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  91.8
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  苯甲酰氯 、 2,2,2-trifluoro-N-[3-(hydroxymethyl)phenyl]-N-(pyrimidin-5-ylmethyl)ethane-sulfonamide 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 3-{(pyrimidin-5-ylmethyl)[(2,2,2-trifluoroethyl)sulfonyl]amino}benzyl benzoate
  参考文献：
  名称：

  WO2006/49968

  摘要：

  公开号：
• 作为产物：
  描述：

  嘧啶-5-甲醛 在 吡啶 、 四丁基氟化铵 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 2,2,2-trifluoro-N-[3-(hydroxymethyl)phenyl]-N-(pyrimidin-5-ylmethyl)ethane-sulfonamide
  参考文献：
  名称：

  Pyrimidine methyl anilines: selective potentiators for the metabotropic glutamate 2 receptor

  摘要：

  Pyrimidine methyl anilines as potent and selective mGlu2 potentiators are described. Findings from the structure-activity-relationship investigations are discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.079

文献信息

• Pyrimidine and Quinoline Potentiators of Metabotropic Glutamate Receptors
  申请人：Hu H. Essa

  公开号：US20070287716A1

  公开（公告）日：2007-12-13

  The present invention is directed to compounds which are potentiators of metabotropic glutamate receptors, including the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及化合物，它们是代谢型谷氨酸受体的增强剂，包括mGluR2受体，可用于治疗或预防与谷氨酸功能障碍有关的神经和精神障碍以及代谢型谷氨酸受体参与的疾病。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗代谢型谷氨酸受体参与的这种疾病中使用这些化合物和组合物。
• WO2006/49968
  申请人：——

  公开号：——

  公开（公告）日：——
• PYRIMIDINE AND QUINOLINE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS
  申请人：Merck & Co., Inc.

  公开号：EP1809608A1

  公开（公告）日：2007-07-25
• [EN] PYRIMIDINE AND QUINOLINE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS<br/>[FR] POTENTIALISATEURS DE PYRIMIDINE ET QUINOLINE DES RECEPTEURS METABOTROPIQUES DU GLUTAMATE
  申请人：MERCK & CO INC

  公开号：WO2006049968A1

  公开（公告）日：2006-05-11

  [EN] The present invention is directed to compounds which are potentiators of metabotropic glutamate receptors, including the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.
  [FR] L'invention concerne des composés qui sont des potentialisateurs des récepteurs métabotropiques du glutamate, notamment le récepteur mGluR2, et utiles dans le traitement ou la prévention de troubles neurologiques et psychiatriques associés à un dysfonctionnement du glutamate et des maladies dans lesquelles les récepteurs métabotropiques du glutamate sont impliqués. L'invention concerne également des compositions pharmaceutiques comprenant ces composés et l'utilisation de ces composés et compositions dans la prévention ou le traitement de telles maladies dans lesquelles les récepteurs métabotropiques sont impliqués.
• Pyrimidine methyl anilines: selective potentiators for the metabotropic glutamate 2 receptor
  作者：Essa Hu、Peter C. Chua、Lida Tehrani、Johnny Y. Nagasawa、Anthony B. Pinkerton、Blake A. Rowe、Jean-Michel Vernier、John H. Hutchinson、Nicholas D.P. Cosford

  DOI：10.1016/j.bmcl.2004.07.079

  日期：2004.10

  Pyrimidine methyl anilines as potent and selective mGlu2 potentiators are described. Findings from the structure-activity-relationship investigations are discussed. (C) 2004 Elsevier Ltd. All rights reserved.