[4-[(6-chloropyridin-3-yl)methyl]-2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]naphthalen-1-yl] acetate | 1570366-39-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [4-[(6-chloropyridin-3-yl)methyl]-2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]naphthalen-1-yl] acetate
• CAS: 1570366-39-0
• 化学式: C₂₅H₂₅ClN₂O₄
• 分子量: 452.938
• InChiKey: NSPCXERZCMHGBN-VXKWHMMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  88.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-甲氧基-4-溴-2-萘甲酸甲酯 在 二(三叔丁基膦)钯 、 氢溴酸 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 生成 [4-[(6-chloropyridin-3-yl)methyl]-2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]naphthalen-1-yl] acetate
  参考文献：
  名称：

  Identification of a methoxynaphthalene scaffold as a core replacement in quinolizidinone amide M1 positive allosteric modulators

  摘要：

  A series of methoxynaphthalene amides were prepared and evaluated as alternatives to quinolizidinone amide M-1 positive allosteric modulators. A methoxy group was optimal for M-1 activity and addressed key P-gp issues present in the aforementioned quinolizidinone amide series. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.012

文献信息

• Identification of a methoxynaphthalene scaffold as a core replacement in quinolizidinone amide M1 positive allosteric modulators
  作者：Scott D. Kuduk、Christina N. Di Marco、Jonathan R. Saffold、William J. Ray、Lei Ma、Marion Wittmann、Kenneth A. Koeplinger、Charles D. Thompson、George D. Hartman、Mark T. Bilodeau、Douglas C. Beshore

  DOI：10.1016/j.bmcl.2014.01.012

  日期：2014.3

  A series of methoxynaphthalene amides were prepared and evaluated as alternatives to quinolizidinone amide M-1 positive allosteric modulators. A methoxy group was optimal for M-1 activity and addressed key P-gp issues present in the aforementioned quinolizidinone amide series. (C) 2014 Elsevier Ltd. All rights reserved.