Ethyl 2-(4-methylphenoxy)pyridine-3-carboxylate | 157201-37-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Ethyl 2-(4-methylphenoxy)pyridine-3-carboxylate
• CAS: 157201-37-1
• 化学式: C₁₅H₁₅NO₃
• 分子量: 257.289
• InChiKey: PZGBIMRLIPCINH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 2-(4-methylphenoxy)pyridine-3-carboxylate 在 水 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 lithium hydroxide 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 10.0h， 生成 2-[(4-methylphenyl)oxy]-N-[(1R)-2-(4-methylpiperazin-1-yl)-2-oxo-1-{[(phenylmethyl)oxy]methyl}ethyl]pyridine-3-carboxamide
  参考文献：
  名称：

  Discovery of a new class of glucosylceramide synthase inhibitors

  摘要：

  A novel series of potent inhibitors of glucosylceramide synthase are described. The optimization of biochemical and cellular potency as well as ADME properties led to compound 23c. Broad tissue distribution was obtained following oral administration to mice. Thus 23c could be another useful tool compound for studying the effects of GCS inhibition in vitro and in vivo. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.037
• 作为产物：
  描述：

  对甲酚 、 2-氯烟酸乙酯 在 caesium carbonate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 48.0h， 生成 Ethyl 2-(4-methylphenoxy)pyridine-3-carboxylate
  参考文献：
  名称：

  Discovery of a new class of glucosylceramide synthase inhibitors

  摘要：

  A novel series of potent inhibitors of glucosylceramide synthase are described. The optimization of biochemical and cellular potency as well as ADME properties led to compound 23c. Broad tissue distribution was obtained following oral administration to mice. Thus 23c could be another useful tool compound for studying the effects of GCS inhibition in vitro and in vivo. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.037

文献信息

• DERIVATE DES AZAANTHRACHINONS UND DES AZAXANTHONS UND DIESE ENTHALTENDE HERBIZIDE UND PFLANZENWACHSTUMSREGULATOREN
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP0680481B1

  公开（公告）日：1998-04-01
• Discovery of a new class of glucosylceramide synthase inhibitors
  作者：Elena Koltun、Steven Richards、Vicky Chan、Jason Nachtigall、Hongwang Du、Kevin Noson、Adam Galan、Naing Aay、Art Hanel、Amanda Harrison、Jeff Zhang、Kwang-Ai Won、Danny Tam、Fawn Qian、Tao Wang、Patricia Finn、Kathleen Ogilvie、Jon Rosen、Raju Mohan、Christopher Larson、Peter Lamb、John Nuss、Patrick Kearney

  DOI：10.1016/j.bmcl.2011.09.037

  日期：2011.11

  A novel series of potent inhibitors of glucosylceramide synthase are described. The optimization of biochemical and cellular potency as well as ADME properties led to compound 23c. Broad tissue distribution was obtained following oral administration to mice. Thus 23c could be another useful tool compound for studying the effects of GCS inhibition in vitro and in vivo. (C) 2011 Elsevier Ltd. All rights reserved.