8-Fluoro-1-[[4-[6-(methylamino)pyridin-3-yl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid | 1000814-71-0

• 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: 8-Fluoro-1-[[4-[6-(methylamino)pyridin-3-yl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
• CAS: 1000814-71-0
• 化学式: C₂₃H₁₈FN₃O₃
• 分子量: 403.413
• InChiKey: BYGIHAUICYFPGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  82.5
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  、 alkaline earth salt of/the/ methylsulfuric acid 在 bis[tris( 1,1-dimethylethyl)phosphine]-palladium 、 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成 8-Fluoro-1-[[4-[6-(methylamino)pyridin-3-yl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  Parallel synthesis of N-biaryl quinolone carboxylic acids as selective M1 positive allosteric modulators

  摘要：

  An iterative analog library synthesis approach was employed in the exploration of a quinolone carboxylic acid series of selective M-1 positive allosteric modulators, and strategies for improving potency and plasma free fraction were identified. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.100

文献信息

• BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2037739B1

  公开（公告）日：2011-10-26
• Benzyl-substituted quinolone m1 receptor positive allosteric modulators
  申请人：Lindsley Craig

  公开号：US20100009962A1

  公开（公告）日：2010-01-14

  The present invention is directed to benzyl-substituted quinolone compounds of general formula (I) which 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, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of diseases in which the M1 receptor is involved.
• US8178667B2
  申请人：——

  公开号：US8178667B2

  公开（公告）日：2012-05-15
• Parallel synthesis of N-biaryl quinolone carboxylic acids as selective M1 positive allosteric modulators
  作者：Feng V. Yang、William D. Shipe、Jaime L. Bunda、M. Brad Nolt、David D. Wisnoski、Zhijian Zhao、James C. Barrow、William J. Ray、Lei Ma、Marion Wittmann、Matthew A. Seager、Kenneth A. Koeplinger、George D. Hartman、Craig W. Lindsley

  DOI：10.1016/j.bmcl.2009.11.100

  日期：2010.1

  An iterative analog library synthesis approach was employed in the exploration of a quinolone carboxylic acid series of selective M-1 positive allosteric modulators, and strategies for improving potency and plasma free fraction were identified. (C) 2009 Elsevier Ltd. All rights reserved.