4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester | 866320-17-4

• 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: 4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridine-1-carboxylate
• CAS: 866320-17-4
• 化学式: C₁₇H₂₀N₂O₂
• 分子量: 284.358
• InChiKey: IOIBVLAFLPJENL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-(1,2,3,6-Tetrahydro-pyridin-4-ylethynyl)-pyridine
  参考文献：
  名称：

  Cyclohexenyl- and dehydropiperidinyl-alkynyl pyridines as potent metabotropic glutamate subtype 5 (mGlu5) receptor antagonists

  摘要：

  Structure-activity relationship studies leading to the discovery of novel mGlu5 receptor antagonists are described. These compounds show high in vitro potency, have good in vivo receptor occupancy, and a reasonable intravenous pharmacokinetic profile. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.099
• 作为产物：
  描述：

  2-乙炔基吡啶 在 吡啶 、 正丁基锂 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 生成 4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Cyclohexenyl- and dehydropiperidinyl-alkynyl pyridines as potent metabotropic glutamate subtype 5 (mGlu5) receptor antagonists

  摘要：

  Structure-activity relationship studies leading to the discovery of novel mGlu5 receptor antagonists are described. These compounds show high in vitro potency, have good in vivo receptor occupancy, and a reasonable intravenous pharmacokinetic profile. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.099

文献信息

• Cyclohexenyl- and dehydropiperidinyl-alkynyl pyridines as potent metabotropic glutamate subtype 5 (mGlu5) receptor antagonists
  作者：Peter C. Chua、Johnny Y. Nagasawa、Leo S. Bleicher、Benito Munoz、Edwin J. Schweiger、Lida Tehrani、Jeffrey J. Anderson、Merryl Cramer、Janice Chung、Mitchell D. Green、Chris D. King、Grace Reyes-Manalo、Nicholas D.P. Cosford

  DOI：10.1016/j.bmcl.2005.06.099

  日期：2005.10

  Structure-activity relationship studies leading to the discovery of novel mGlu5 receptor antagonists are described. These compounds show high in vitro potency, have good in vivo receptor occupancy, and a reasonable intravenous pharmacokinetic profile. (c) 2005 Elsevier Ltd. All rights reserved.