1-(2,6-Diisopropylphenyl)-3-((1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl)methyl)urea | 1143579-18-3

• 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: 1-(2,6-Diisopropylphenyl)-3-((1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl)methyl)urea
• 英文别名: 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]urea
• CAS: 1143579-18-3
• 化学式: C₃₃H₄₃N₃O₃
• 分子量: 529.723
• InChiKey: ISXLCONDKDAKDK-UHFFFAOYSA-N

物化性质

• 沸点：
  640.3±55.0 °C(predicted)
• 密度：
  1.103±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  62.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  {[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl}amine 、 4-nitrophenyl (2,6-diisopropylphenyl)carbamate 以 四氢呋喃 为溶剂， 生成 1-(2,6-Diisopropylphenyl)-3-((1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl)methyl)urea
  参考文献：
  名称：

  Novel 1,4-diarylpiperidine-4-methylureas as anti-hyperlipidemic agents: Dual effectors on acyl-CoA:cholesterol O-acyltransferase and low-density lipoprotein receptor expression

  摘要：

  A family of 1,4-diarylpiperidine-4-methylureas were designed and synthesized as novel dual effectors on ACAT and LDL receptor expression. We examined SAR of the synthesized compounds focusing on substitution at the three aromatic parts of the starting compound 1 and succeeded in identifying essential substituents for inhibition of ACAT and up-regulation of hepatic LDL receptor expression. Especially, we found that compound 12f, which can easily be prepared, has biological properties comparable to those of SMP-797, a promising ACAT inhibitor. In addition, the in vitro effects of 12f on lipid metabolism were substantially superior to those of a known ACAT inhibitor, Avasimibe. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.020

文献信息

• Novel 1,4-diarylpiperidine-4-methylureas as anti-hyperlipidemic agents: Dual effectors on acyl-CoA:cholesterol O-acyltransferase and low-density lipoprotein receptor expression
  作者：Shigehiro Asano、Hitoshi Ban、Kouichi Kino、Katsuhisa Ioriya、Masami Muraoka

  DOI：10.1016/j.bmcl.2009.01.020

  日期：2009.2

  A family of 1,4-diarylpiperidine-4-methylureas were designed and synthesized as novel dual effectors on ACAT and LDL receptor expression. We examined SAR of the synthesized compounds focusing on substitution at the three aromatic parts of the starting compound 1 and succeeded in identifying essential substituents for inhibition of ACAT and up-regulation of hepatic LDL receptor expression. Especially, we found that compound 12f, which can easily be prepared, has biological properties comparable to those of SMP-797, a promising ACAT inhibitor. In addition, the in vitro effects of 12f on lipid metabolism were substantially superior to those of a known ACAT inhibitor, Avasimibe. (C) 2009 Elsevier Ltd. All rights reserved.