N,N-Dimethyl-2-[(3S)-3-pyrrolidinyloxy]acetamide | 949100-16-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: N,N-Dimethyl-2-[(3S)-3-pyrrolidinyloxy]acetamide
• 英文别名: N,N-dimethyl-2-[(3S)-pyrrolidin-3-yl]oxyacetamide
• CAS: 949100-16-7
• 化学式: C₈H₁₆N₂O₂
• 分子量: 172.227
• InChiKey: MAXCONLHEMWYTO-ZETCQYMHSA-N

物化性质

• 沸点：
  277.9±35.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  pentyl 4-((2S)-5-tert-butoxy-2-([(4-chloro-6-phenylpyridin-2-yl)carbonyl]amino)-5-oxopentanoyl)piperazine-1-carboxylate 、 N,N-Dimethyl-2-[(3S)-3-pyrrolidinyloxy]acetamide 在 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Part II: Piperazinyl-glutamate-pyridines as potent orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation

  摘要：

  Efforts to re. ne the SAR of the piperazinyl-glutamate-pyridines for more potent analogs with improved pharmacokinetic profiles are described. Exploring substituted piperidines and other ring systems at the 4-pyridyl position led to compounds with improved potency and pharmacokinetic properties over candidate I. In particular, compounds 4t and 5t were discovered with a 10-fold improvement over potency and improved pharmacokinetic profiles in both the rat and dog. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.110

文献信息

• Part II: Piperazinyl-glutamate-pyridines as potent orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation
  作者：John J. Parlow、Mary W. Burney、Brenda L. Case、Thomas J. Girard、Kerri A. Hall、Peter K. Harris、Ronald R. Hiebsch、Rita M. Huff、Rhonda M. Lachance、Deborah A. Mischke、Stephen R. Rapp、Rhonda S. Woerndle、Michael D. Ennis

  DOI：10.1016/j.bmcl.2009.12.110

  日期：2010.2

  Efforts to re. ne the SAR of the piperazinyl-glutamate-pyridines for more potent analogs with improved pharmacokinetic profiles are described. Exploring substituted piperidines and other ring systems at the 4-pyridyl position led to compounds with improved potency and pharmacokinetic properties over candidate I. In particular, compounds 4t and 5t were discovered with a 10-fold improvement over potency and improved pharmacokinetic profiles in both the rat and dog. (C) 2010 Elsevier Ltd. All rights reserved.