(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-[2-(oxan-4-yl)ethyl]-4-phenylimidazolidin-2-one | 1235862-10-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: (4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-[2-(oxan-4-yl)ethyl]-4-phenylimidazolidin-2-one
• CAS: 1235862-10-8
• 化学式: C₃₄H₄₈N₆O₃
• 分子量: 588.794
• InChiKey: FGJLSESRUCPLFO-PMERELPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  82.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  、 4,6-二甲基嘧啶-5-甲酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-[2-(oxan-4-yl)ethyl]-4-phenylimidazolidin-2-one
  参考文献：
  名称：

  Synthesis, SAR and evaluation of [1,4′]-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists

  摘要：

  Elaboration of our previously disclosed spiropiperidine template led to the development of a series of novel CCR5 antagonists. Results of SAR exploration and preliminary lead characterization are described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.077

文献信息

• Synthesis, SAR and evaluation of [1,4′]-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists
  作者：David M. Rotstein、Stephen D. Gabriel、Nicole Manser、Lubov Filonova、Fernando Padilla、Surya Sankuratri、Changhua Ji、Andre deRosier、Marianna Dioszegi、Gabrielle Heilek、Andreas Jekle、Paul Weller、Pamela Berry

  DOI：10.1016/j.bmcl.2010.04.077

  日期：2010.6

  Elaboration of our previously disclosed spiropiperidine template led to the development of a series of novel CCR5 antagonists. Results of SAR exploration and preliminary lead characterization are described. (C) 2010 Elsevier Ltd. All rights reserved.