tert-butyl 3-(2-hydroxy-2-phenylethyl)azetidine-1-carboxylate | 1629248-29-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 英文名称: tert-butyl 3-(2-hydroxy-2-phenylethyl)azetidine-1-carboxylate
• CAS: 1629248-29-8
• 化学式: C₁₆H₂₃NO₃
• 分子量: 277.364
• InChiKey: DQUXLQXGNSJCTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.98
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  49.77
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-(2-hydroxy-2-phenylethyl)azetidine-1-carboxylate 在 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 mineral oil 为溶剂， 反应 12.5h， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of 3-phenethylazetidine derivatives as triple reuptake inhibitors

  摘要：

  We report the synthesis of 3-phenethylazetidine derivatives 2 and their biological activities against 5-HT, NE and DA transporters as well as microsomal stability, CYP inhibition, and hERG inhibition profiles. Compound 2at showed most potent triple reuptake inhibitor with good selectivity as a candidate for depression. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.06.026
• 作为产物：
  描述：

  N-Boc-3-氮杂环丁烷乙酸 在 草酰氯 作用下， 以 四氢呋喃 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 7.0h， 生成 tert-butyl 3-(2-hydroxy-2-phenylethyl)azetidine-1-carboxylate
  参考文献：
  名称：

  Synthesis and biological evaluation of 3-phenethylazetidine derivatives as triple reuptake inhibitors

  摘要：

  We report the synthesis of 3-phenethylazetidine derivatives 2 and their biological activities against 5-HT, NE and DA transporters as well as microsomal stability, CYP inhibition, and hERG inhibition profiles. Compound 2at showed most potent triple reuptake inhibitor with good selectivity as a candidate for depression. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.06.026

文献信息

• 아릴옥시 아제티딘 화합물, 및 이를 포함하는 약학 조성물
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 한국과학기술연구원(319980077518) BRN ▼209-82-03522

  公开号：KR101651994B1

  公开（公告）日：2016-08-30

  아릴옥시 아제티딘 화합물, 및 이를 포함하는 약학 조성물이 제공된다. 상기 아릴옥시 아제티딘 화합물은 신경 전달 물질인 세레토닌, 노에피네프린 및 도파민 등의 재흡수를 동시에 억제할 수 있어, 우울증, 기타 정신 질환, 조루증, 또는 신경병증성 통증의 예방 및/또는 유용하게 사용될 수 있다.

  阿利奥西阿泽替定化合物，以及含有该化合物的药学配方物提供。上述阿利奥西阿泽替定化合物能同时抑制神经传递物质如血清素、去甲肾上腺素和多巴胺的再吸收，可用于预防和/或治疗抑郁症、其他精神障碍、尿失禁或神经病性疼痛。