N-Cycloheptyl-N-methyl-2-piperidinemethanamine | 120990-89-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-Cycloheptyl-N-methyl-2-piperidinemethanamine
• 英文别名: N-methyl-N-(piperidin-2-ylmethyl)cycloheptanamine
• CAS: 120990-89-8
• 化学式: C₁₄H₂₈N₂
• mdl: MFCD12090127
• 分子量: 224.39
• InChiKey: FVEXSJFCOTZROA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5,11-二氢-11-氯乙酰基-6H-吡啶并[2.3-b][1,4]苯并二氮卓-6-酮 、 N-Cycloheptyl-N-methyl-2-piperidinemethanamine 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以80%的产率得到11-[2-[2-[[cycloheptyl(methyl)amino]methyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
  参考文献：
  名称：

  Tricyclic compounds as selective muscarinic receptor antagonists. 3. Structure-selectivity relationships in a series of cardioselective (M2) antimuscarinics

  摘要：

  On the basis of the cardioselective muscarinic receptor antagonist AF-DX 116 (2), a series of 11-substituted pyridobenzodiazepinones (9-35) was prepared and screened for their binding affinity to muscarinic receptors located in cardiac (M2) and glandular (M3) tissue. The ratio of IC50 values of the test compounds in the two different tissues was taken as a measure of cardiac (M2) receptor selectivity. Qualitative structure-selectivity relationships point to the fact that it is the spatial orientation of the protonated side-chain nitrogen atom in relation to the tricycle that is the main determinant for receptor subtype recognition and hence is important for the achievement of cardiac (M2) selectivity.

  DOI：

  10.1021/jm00128a008

文献信息

• ENGEL, WOLFHARD W.;EBERLEIN, WOLFGANG G.;MIHM, GERHARD;HAMMER, RUDOLF;TRU+, J. MED. CHEM., 32,(1989) N, C. 1718-1724
  作者：ENGEL, WOLFHARD W.、EBERLEIN, WOLFGANG G.、MIHM, GERHARD、HAMMER, RUDOLF、TRU+

  DOI：——

  日期：——
• Tricyclic compounds as selective muscarinic receptor antagonists. 3. Structure-selectivity relationships in a series of cardioselective (M2) antimuscarinics
  作者：Wolfhard W. Engel、Wolfgang G. Eberlein、Gerhard Mihm、Rudolf Hammer、Guenter Trummlitz

  DOI：10.1021/jm00128a008

  日期：1989.8

  On the basis of the cardioselective muscarinic receptor antagonist AF-DX 116 (2), a series of 11-substituted pyridobenzodiazepinones (9-35) was prepared and screened for their binding affinity to muscarinic receptors located in cardiac (M2) and glandular (M3) tissue. The ratio of IC50 values of the test compounds in the two different tissues was taken as a measure of cardiac (M2) receptor selectivity. Qualitative structure-selectivity relationships point to the fact that it is the spatial orientation of the protonated side-chain nitrogen atom in relation to the tricycle that is the main determinant for receptor subtype recognition and hence is important for the achievement of cardiac (M2) selectivity.