ethyl 1-(4-bromobenzyl)-5-hydroxy-4-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate | 1180613-50-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: ethyl 1-(4-bromobenzyl)-5-hydroxy-4-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• 英文别名: Ethyl 1-[(4-bromophenyl)methyl]-5-hydroxy-4-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
• CAS: 1180613-50-6
• 化学式: C₁₉H₂₀BrNO₄
• 分子量: 406.276
• InChiKey: QPQPHYIIWQOAJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  Ethyl 1-(4-bromobenzyl)-4,5-dioxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 ethyl 1-(4-bromobenzyl)-5-hydroxy-4-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
  参考文献：
  名称：

  Hydroxy cycloalkyl fused pyridone carboxylic acid M1 positive allosteric modulators

  摘要：

  Incorporation of hydroxycycloalkyl fused pyridone carboxylic acids in lieu of quinolone carboxylic acids enhance free fraction without increased susceptibility to P-glycoprotein transport. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.095

文献信息

• Fused Pyridone M1 Receptor Positive Allosteric Modulators
  申请人：Beshore Douglas C.

  公开号：US20100324088A1

  公开（公告）日：2010-12-23

  The present invention is directed to fused pyridone compounds of formula (I) (I) that are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及公式（I）的熔合吡啶酮化合物（I），它们是M1受体正向变构调节剂，并且在M1受体参与的疾病治疗中有用，例如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。本发明还涉及包含这些化合物的药物组合物，以及在治疗M1受体介导的疾病中使用这些化合物和组合物的方法。
• FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2252299B1

  公开（公告）日：2014-03-19
• US8022215B2
  申请人：——

  公开号：US8022215B2

  公开（公告）日：2011-09-20
• Hydroxy cycloalkyl fused pyridone carboxylic acid M1 positive allosteric modulators
  作者：Scott D. Kuduk、Robert M. DiPardo、Douglas C. Beshore、William J. Ray、Lei Ma、Marion Wittmann、Matthew A. Seager、Kenneth A. Koeplinger、Charles D. Thompson、George D. Hartman、Mark T. Bilodeau

  DOI：10.1016/j.bmcl.2010.02.095

  日期：2010.4

  Incorporation of hydroxycycloalkyl fused pyridone carboxylic acids in lieu of quinolone carboxylic acids enhance free fraction without increased susceptibility to P-glycoprotein transport. (C) 2010 Elsevier Ltd. All rights reserved.