2-((6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,2,2-trimethyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)amino)-2-oxoethyl acetate | 1236364-33-2

• 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: 2-((6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,2,2-trimethyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)amino)-2-oxoethyl acetate
• CAS: 1236364-33-2
• 化学式: C₂₇H₂₆Cl₃N₃O₃
• 分子量: 546.881
• InChiKey: MVEPVUMUCIZJBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.71
• 重原子数：
  36.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  71.53
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-((6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,2,2-trimethyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)amino)-2-oxoethyl acetate 在 甲醇 、 sodium methylate 作用下， 生成 (R)-N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,2,2-trimethyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)-2-hydroxyacetamide 、 (S)-N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,2,2-trimethyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)-2-hydroxyacetamide
  参考文献：
  名称：

  Dihydro-pyrano[2,3-b]pyridines and tetrahydro-1,8-naphthyridines as CB1 receptor inverse agonists: Synthesis, SAR and biological evaluation

  摘要：

  Synthesis and structure-activity relationships of cannabinoid-1 receptor (CB1R) inverse agonists based on dihydro-pyrano[2,3-b] pyridine and tetrahydro-1,8-naphtyridine scaffolds are presented. Rat food intake and pharmacokinetic evaluation of 13g, 13i, 13k and 17a revealed these compounds to be highly efficacious orally active modulators of CB1R. (C) 2010 Elsevier Ltd. All rights reserved. NH

  DOI：

  10.1016/j.bmcl.2010.04.071
• 作为产物：
  描述：

  6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,2,2-trimethyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-amine 、 乙酰氧基乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-((6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,2,2-trimethyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)amino)-2-oxoethyl acetate
  参考文献：
  名称：

  Dihydro-pyrano[2,3-b]pyridines and tetrahydro-1,8-naphthyridines as CB1 receptor inverse agonists: Synthesis, SAR and biological evaluation

  摘要：

  Synthesis and structure-activity relationships of cannabinoid-1 receptor (CB1R) inverse agonists based on dihydro-pyrano[2,3-b] pyridine and tetrahydro-1,8-naphtyridine scaffolds are presented. Rat food intake and pharmacokinetic evaluation of 13g, 13i, 13k and 17a revealed these compounds to be highly efficacious orally active modulators of CB1R. (C) 2010 Elsevier Ltd. All rights reserved. NH

  DOI：

  10.1016/j.bmcl.2010.04.071