nicotinic acid-(4-methyl-thiazol-2-ylamide) | 14397-14-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: nicotinic acid-(4-methyl-thiazol-2-ylamide)
• 英文别名: Nicotinsaeure-(4-methyl-thiazol-2-ylamid)；N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
• CAS: 14397-14-9
• 化学式: C₁₀H₉N₃OS
• mdl: MFCD00455897
• 分子量: 219.267
• InChiKey: YSOCMISXIIJOAB-UHFFFAOYSA-N

物化性质

• 密度：
  1.366±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
• 溶解度：
  32.5 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氨基-4-甲基噻唑 、 烟酰氯 在 吡啶 作用下， 反应 1.0h， 生成 nicotinic acid-(4-methyl-thiazol-2-ylamide)
  参考文献：
  名称：

  Design and synthesis of noncompetitive metabotropic glutamate receptor subtype 5 antagonists

  摘要：

  A series of diaryl amides was designed and synthesized as novel nonethynyl mGluR5 antagonists. The systematic variation of the pharmacophoric groups led to the identification of a lead compound that demonstrated micromolar affinity for the mGluR5. Further optimization resulted in compounds with improved binding affinities and antagonist profiles, in vitro. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.032

文献信息

• Lanfranchi, Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1942, vol. <7> 3, p. 776,779
  作者：Lanfranchi

  DOI：——

  日期：——
• Design and synthesis of noncompetitive metabotropic glutamate receptor subtype 5 antagonists
  作者：Santosh S. Kulkarni、Barbara Nightingale、Christina M. Dersch、Richard B. Rothman、Amy Hauck Newman

  DOI：10.1016/j.bmcl.2006.04.032

  日期：2006.7

  A series of diaryl amides was designed and synthesized as novel nonethynyl mGluR5 antagonists. The systematic variation of the pharmacophoric groups led to the identification of a lead compound that demonstrated micromolar affinity for the mGluR5. Further optimization resulted in compounds with improved binding affinities and antagonist profiles, in vitro. (c) 2006 Elsevier Ltd. All rights reserved.