6-(4-Fluoro-phenyl)-N-(3-hydroxymethyl-quinolin-8-ylmethyl)-nicotinamide | 913182-59-9

• 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: 6-(4-Fluoro-phenyl)-N-(3-hydroxymethyl-quinolin-8-ylmethyl)-nicotinamide
• CAS: 913182-59-9
• 化学式: C₂₃H₁₈FN₃O₂
• 分子量: 387.413
• InChiKey: ODANJSFHTPVOPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.86
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  75.11
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6-(4-Fluoro-phenyl)-N-(3-hydroxymethyl-quinolin-8-ylmethyl)-nicotinamide 在 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(3-Dimethylaminomethyl-quinolin-8-ylmethyl)-6-(4-fluoro-phenyl)-nicotinamide
  参考文献：
  名称：

  Design and synthesis of substituted quinolines as novel and selective melanin concentrating hormone antagonists as anti-obesity agents

  摘要：

  A novel series of substituted quinoline analogs were designed and synthesized as potent and selective melanin concentrating hormone (MCH) antagonists. These analogs show potent (nM) activity (12a-k) with a moderate selectivity. Conversely, the conformationally constrained thienopyrimidinone analogs (1 8a-g) showed improved activity in MCH-1R and selectivity over 5 HT2C. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.006
• 作为产物：
  描述：

  8-({[6-(4-Fluoro-phenyl)-pyridine-3-carbonyl]-amino}-methyl)-quinoline-3-carboxylic acid ethyl ester 在 三乙基硼氢化锂 作用下， 以 四氢呋喃 为溶剂， 以70%的产率得到6-(4-Fluoro-phenyl)-N-(3-hydroxymethyl-quinolin-8-ylmethyl)-nicotinamide
  参考文献：
  名称：

  Design and synthesis of substituted quinolines as novel and selective melanin concentrating hormone antagonists as anti-obesity agents

  摘要：

  A novel series of substituted quinoline analogs were designed and synthesized as potent and selective melanin concentrating hormone (MCH) antagonists. These analogs show potent (nM) activity (12a-k) with a moderate selectivity. Conversely, the conformationally constrained thienopyrimidinone analogs (1 8a-g) showed improved activity in MCH-1R and selectivity over 5 HT2C. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.006