N-{1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl}-N-(4-fluorobenzyl)-N'-(4-isopropoxy-benzyl)carbamide oxalate | 639862-28-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-{1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl}-N-(4-fluorobenzyl)-N'-(4-isopropoxy-benzyl)carbamide oxalate
• 英文别名: 1-[1-[2-(1,3-Dioxolan-2-yl)ethyl]piperidin-4-yl]-1-[(4-fluorophenyl)methyl]-3-[(4-propan-2-yloxyphenyl)methyl]urea;oxalic acid
• CAS: 639862-28-5
• 化学式: C₂H₂O₄*C₂₈H₃₈FN₃O₄
• 分子量: 589.661
• InChiKey: OKZFOVJQIDPLPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.71
• 重原子数：
  42
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  138
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N-{1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl}-N-(4-fluorobenzyl)-N'-(4-isopropoxy-benzyl)carbamide oxalate 、 (S)-(+)-1,2-丙二醇 在 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.5h， 以4%的产率得到N-(4-fluorobenzyl)-N'-(4-isopropoxybenzyl)-N-{1-[2-((S)-4-methyl-1,3-dioxolane-2-yl)ethyl]piperidin-4-yl}carbamide
  参考文献：
  名称：

  [EN] N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS
  [FR] DERIVES DE PIPERIDINE SUBSTITUES EN N EN TANT QU'AGENTS RECEPTEURS DE LA SEROTONINE

  摘要：

  公开号：

  WO2004000808A3

文献信息

• WO2007/124136
  申请人：——

  公开号：——

  公开（公告）日：——
• NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS
  申请人：Chen Chien-Hung

  公开号：US20120183600A1

  公开（公告）日：2012-07-19

  The invention relates to a composition that includes a first agent selected from the group consisting of an oxidative phosphorylation inhibitor, an ionophore, and an adenosine 5′-monophosphate-activated protein kinase (AMPK) activator; a second agent that possesses anti-inflammatory activity; and a third agent that possesses serotonin activity.
• PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF
  申请人：ALS MOUNTAIN LLC

  公开号：US20140350064A1

  公开（公告）日：2014-11-27

  The present invention is based on the unexpected discovery that a combination of certain known drugs exhibits synergistic effects in treating metabolic syndrome and various other diseases. In particular, the invention comprises a pharmaceutical composition comprising: (1) a therapeutically effective quantity of a first agent that is an AMPK activator; and (2) a therapeutically effective quantity of a second agent that possesses or maintains serotonin activity. A preferred composition comprises metformin hydrochloride and melatonin. The invention further comprises methods for the use of these compositions for the treatment of metabolic syndrome, hyperproliferative diseases including cancer, and other diseases and conditions.
• [EN] N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS<br/>[FR] DERIVES DE PIPERIDINE SUBSTITUES EN N EN TANT QU'AGENTS RECEPTEURS DE LA SEROTONINE
  申请人：ACADIA PHARM INC

  公开号：WO2004000808A3

  公开（公告）日：2004-03-25