3-(4-benzyl-5,6-dihydropyridin-1(2H)-yl)-1-(4-methoxyphenyl)propan-1-one hydrochloride | 1394148-04-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(4-benzyl-5,6-dihydropyridin-1(2H)-yl)-1-(4-methoxyphenyl)propan-1-one hydrochloride
• 英文别名: 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride
• CAS: 1394148-04-9
• 化学式: C₂₂H₂₅NO₂*ClH
• 分子量: 371.907
• InChiKey: YTHADTSIZKLHDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.56
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-benzyl-5,6-dihydropyridin-1(2H)-yl)-1-(4-methoxyphenyl)propan-1-one hydrochloride 在 盐酸 、 sodium tetrahydroborate 作用下， 以 甲醇 、 乙醇 、 乙酸乙酯 为溶剂， 反应 3.0h， 生成 3-(4-benzyl-5,6-dihydropyridin-1(2H)-yl)-1-(4-methoxyphenyl)propan-1-ol hydrochloride
  参考文献：
  名称：

  Synthesis and antidepressant activity of arylalkanol-piperidine derivatives as triple reuptake inhibitors

  摘要：

  A series of arylalkanol-piperidine derivatives was synthesized, and their triple reuptake inhibition and in vivo activities have been evaluated. Among them, compounds 2a, 2j, 2k, 2m and 2n exhibited high potency for 5-HT, NA and DA transporters. Optimized compounds 2j and 2m showed significant reduction of immobility time compared to that of vehicle in the mouse tail suspension test (TST) test at doses ranging from 10 to 50 mg/kg po, and were not generally motor stimulants at 50 mg/kg dose. In addition, compounds 2j and 2m displayed desirable pharmacokinetic properties in SD rats. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.04.030
• 作为产物：
  描述：

  聚合甲醛 、 4-benzyl-1,2,3,6-tetrahydropyridine hydrochloride 、 对甲氧基苯乙酮 在 盐酸 作用下， 以 乙醇 、 水 、 乙酸乙酯 为溶剂， 反应 6.0h， 以88.9%的产率得到3-(4-benzyl-5,6-dihydropyridin-1(2H)-yl)-1-(4-methoxyphenyl)propan-1-one hydrochloride
  参考文献：
  名称：

  Synthesis and antidepressant activity of arylalkanol-piperidine derivatives as triple reuptake inhibitors

  摘要：

  A series of arylalkanol-piperidine derivatives was synthesized, and their triple reuptake inhibition and in vivo activities have been evaluated. Among them, compounds 2a, 2j, 2k, 2m and 2n exhibited high potency for 5-HT, NA and DA transporters. Optimized compounds 2j and 2m showed significant reduction of immobility time compared to that of vehicle in the mouse tail suspension test (TST) test at doses ranging from 10 to 50 mg/kg po, and were not generally motor stimulants at 50 mg/kg dose. In addition, compounds 2j and 2m displayed desirable pharmacokinetic properties in SD rats. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.04.030

文献信息

• Synthesis and antidepressant activity of arylalkanol-piperidine derivatives as triple reuptake inhibitors
  作者：Yong-Yong Zheng、Lin Guo、Xue-Chu Zhen、Jian-Qi Li

  DOI：10.1016/j.ejmech.2012.04.030

  日期：2012.8

  A series of arylalkanol-piperidine derivatives was synthesized, and their triple reuptake inhibition and in vivo activities have been evaluated. Among them, compounds 2a, 2j, 2k, 2m and 2n exhibited high potency for 5-HT, NA and DA transporters. Optimized compounds 2j and 2m showed significant reduction of immobility time compared to that of vehicle in the mouse tail suspension test (TST) test at doses ranging from 10 to 50 mg/kg po, and were not generally motor stimulants at 50 mg/kg dose. In addition, compounds 2j and 2m displayed desirable pharmacokinetic properties in SD rats. (C) 2012 Elsevier Masson SAS. All rights reserved.