[(S)-1-(4-Dimethylcarbamoyloxy-phenyl)-3-(4-nitro-phenoxy)-propyl]-carbamic acid tert-butyl ester | 474295-88-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(S)-1-(4-Dimethylcarbamoyloxy-phenyl)-3-(4-nitro-phenoxy)-propyl]-carbamic acid tert-butyl ester
• 英文别名: [4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate
• CAS: 474295-88-0
• 化学式: C₂₃H₂₉N₃O₇
• 分子量: 459.499
• InChiKey: PJNWZQZALDUARM-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  123
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [(S)-1-(4-Dimethylcarbamoyloxy-phenyl)-3-(4-nitro-phenoxy)-propyl]-carbamic acid tert-butyl ester 在 盐酸 、 sodium hydride 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.0h， 生成 dimethylcarbamic acid 4-[1-methylamino-3-(4-nitrophenoxy)propyl]phenyl ester hydrochloride salt
  参考文献：
  名称：

  Design and Synthesis of Dual Inhibitors of Acetylcholinesterase and Serotonin Transporter Targeting Potential Agents for Alzheimer's Disease

  摘要：

  [GRAPHICS]Highly efficient acetylcholinesterase (AChE) and serotonin transporter (SERT) dual inhibitors, (S)-4 and (R)-13 were designed and synthesized on the basis of the hypothetical model of AChE active site. Both compounds showed potent inhibitory activities against AChE and SERT.

  DOI：

  10.1021/ol026418e
• 作为产物：
  描述：

  (S)-β-tyrosine methyl ester 在 lithium aluminium tetrahydride 、 potassium carbonate 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 6.0h， 生成 [(S)-1-(4-Dimethylcarbamoyloxy-phenyl)-3-(4-nitro-phenoxy)-propyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Design and Synthesis of Dual Inhibitors of Acetylcholinesterase and Serotonin Transporter Targeting Potential Agents for Alzheimer's Disease

  摘要：

  [GRAPHICS]Highly efficient acetylcholinesterase (AChE) and serotonin transporter (SERT) dual inhibitors, (S)-4 and (R)-13 were designed and synthesized on the basis of the hypothetical model of AChE active site. Both compounds showed potent inhibitory activities against AChE and SERT.

  DOI：

  10.1021/ol026418e

文献信息

• Design and Synthesis of Dual Inhibitors of Acetylcholinesterase and Serotonin Transporter Targeting Potential Agents for Alzheimer's Disease
  作者：Hiroshi Kogen、Narihiro Toda、Keiko Tago、Shinji Marumoto、Kazuko Takami、Mayuko Ori、Naho Yamada、Kazuo Koyama、Shunji Naruto、Kazumi Abe、Reina Yamazaki、Takao Hara、Atsushi Aoyagi、Yasuyuki Abe、Tsugio Kaneko

  DOI：10.1021/ol026418e

  日期：2002.10.1

  [GRAPHICS]Highly efficient acetylcholinesterase (AChE) and serotonin transporter (SERT) dual inhibitors, (S)-4 and (R)-13 were designed and synthesized on the basis of the hypothetical model of AChE active site. Both compounds showed potent inhibitory activities against AChE and SERT.