3-(methoxymethyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine | 524924-75-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(methoxymethyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
• 英文别名: Methoxymethyl-MTEP；Pyridine, 3-(methoxymethyl)-5-[(2-methyl-4-thiazolyl)ethynyl]-；4-[2-[5-(methoxymethyl)pyridin-3-yl]ethynyl]-2-methyl-1,3-thiazole
• CAS: 524924-75-2
• 化学式: C₁₃H₁₂N₂OS
• 分子量: 244.317
• InChiKey: AWDRAHDWMICWJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-溴烟酸甲酯 在 四丁基碘化铵 、 三乙胺 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 lithium aluminium tetrahydride 、 sodium hydride 、 三苯基膦 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 120.0h， 生成 3-(methoxymethyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
  参考文献：
  名称：

  [3H]-Methoxymethyl-MTEP and [3H]-Methoxy-PEPy: potent and selective radioligands for the metabotropic glutamate subtype 5 (mGlu5) receptor

  摘要：

  The design, synthesis, and characterization of two potent, non-competitive radioligands, [H-3]-methoxymethyl-MTEP and [H-3]-methoxy-PEPy, that are selective for the mGlu5 receptor are described. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00997-6

文献信息

• Alkyne derivatives as tracers for metabotropic glutamate receptor binding
  申请人：Cosford Peter Nicholas David

  公开号：US20070060618A1

  公开（公告）日：2007-03-15

  The present invention is directed to isotopically labeled alkyne derivative compounds, particularly 11 C, 13 C, 14 C, 18 F, 15 O, 13 N, 35 S, 2 H, and 3 H labeled compounds. In particular, the present invention is directed to 11 C, 13 C, 14 C, 18 F, 15 O, 13 N, 35 S, 2 H, and 3 H labeled heterocyclic alkynes and methods of their preparation. The present invention further includes a method of use of the 11 C, 18 F, 15 O, or 13 N labeled heterocyclic alkyne compounds as tracers in positron emission tomography (PET) imaging, particularly in the study of metabolic conditions in mammals, specifically conditions modulated by metabotropic glutamate receptors subtype 5 (mGluR5).

  本发明涉及同位素标记的炔基衍生物化合物，特别是11C、13C、14C、18F、15O、13N、35S、2H和3H标记的化合物。具体而言，本发明涉及11C、13C、14C、18F、15O、13N、35S、2H和3H标记的杂环炔烃及其制备方法。本发明还包括将11C、18F、15O或13N标记的杂环炔烃化合物用作正电子发射断层扫描（PET）成像中的示踪剂的使用方法，特别是在哺乳动物代谢状况的研究中，特别是通过代谢型谷氨酸受体亚型5（mGluR5）调节的状况。
• ALKYNE DERIVATIVES AS TRACERS FOR METABOTROPIC GLUTAMATE RECEPTOR BINDING
  申请人：Merck & Co., Inc.

  公开号：EP1556142A2

  公开（公告）日：2005-07-27
• EP1556142A4
  申请人：——

  公开号：EP1556142A4

  公开（公告）日：2006-11-08
• [EN] ALKYNE DERIVATIVES AS TRACERS FOR METABOTROPIC GLUTAMATE RECEPTOR BINDING<br/>[FR] DERIVES D'ALCYNE UTILISES COMME MARQUEURS POUR LA LIAISON AU RECEPTEUR DU GLUTAMATE METABOTROPIQUE
  申请人：MERCK & CO INC

  公开号：WO2004038374A2

  公开（公告）日：2004-05-06

  The present invention is directed to isotopically labeled alkyne derivative compounds, particularly 11C, 13C, 14C, 18F, 15O, 13N, 35S, 2H, and 3H labeled compounds. In particular, the present invention is directed to 11C, 13C, 14C, 18F, 15O, 13N, 35S, 2H, and 3H labeled heterocyclic alkynes and methods of their preparation. The present invention further includes a method of use of the 11C, 18F, 15O, or 13N labeled heterocyclic alkyne compounds as tracers in positron emission tomography (PET) imaging, particularly in the study of metabolic conditions in mammals, specifically conditions modulated by metabotropic glutamate receptors subtype 5 (mGluR5).