N-benzyl-2,2-dimethyl-N-[[(7R)-1'-methyl-2',4'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-3-yl]methyl]propanamide | 1258555-30-4

• 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: N-benzyl-2,2-dimethyl-N-[[(7R)-1'-methyl-2',4'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-3-yl]methyl]propanamide
• CAS: 1258555-30-4
• 化学式: C₂₈H₃₀N₄O₃
• 分子量: 470.571
• InChiKey: RVJHBDKIIZKJGU-MUUNZHRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  82.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  、 三甲基乙酰氯 在 N-甲基吗啉 作用下， 以95%的产率得到N-benzyl-2,2-dimethyl-N-[[(7R)-1'-methyl-2',4'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-3-yl]methyl]propanamide
  参考文献：
  名称：

  Novel CGRP receptor antagonists from central amide replacements causing a reversal of preferred chirality

  摘要：

  A previously utilized quinoline-for-N-phenylamide replacement strategy was employed against a central amide in a novel class of CGRP receptor antagonists. A unique and unexpected substitution pattern was ultimately required to maintain reasonable affinity for the CGRP receptor, while at the same time predicting acceptable heterocycle positioning for related analogs. Subsequently, specific quinoline and naphthyridine compounds were prepared which supported these structural predictions by displaying CGRP binding affinities in the 0.037-0.15 nM range. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.105

文献信息

• Novel CGRP receptor antagonists from central amide replacements causing a reversal of preferred chirality
  作者：Michael R. Wood、Kathy M. Schirripa、June J. Kim、Rodney A. Bednar、John F. Fay、Joseph G. Bruno、Eric L. Moore、Scott D. Mosser、Shane Roller、Christopher A. Salvatore、Joseph P. Vacca、Harold G. Selnick

  DOI：10.1016/j.bmcl.2010.08.105

  日期：2010.11

  A previously utilized quinoline-for-N-phenylamide replacement strategy was employed against a central amide in a novel class of CGRP receptor antagonists. A unique and unexpected substitution pattern was ultimately required to maintain reasonable affinity for the CGRP receptor, while at the same time predicting acceptable heterocycle positioning for related analogs. Subsequently, specific quinoline and naphthyridine compounds were prepared which supported these structural predictions by displaying CGRP binding affinities in the 0.037-0.15 nM range. (C) 2010 Elsevier Ltd. All rights reserved.