N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine | 1187303-81-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine
• CAS: 1187303-81-6
• 化学式: C₉H₁₄N₄
• 分子量: 178.237
• InChiKey: GQWUHDKWAWDPPC-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  49.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine 、 Boc-(R)-3-氨基-4-(2,4,5-三氟苯基)丁酸 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
  参考文献：
  名称：

  From lead to preclinical candidate: Optimization of β-homophenylalanine based inhibitors of dipeptidyl peptidase IV

  摘要：

  A series of highly potent and selective inhibitors of DPP-4 was optimized for ADMET properties. The effort resulted in the discovery of inhibitor 1g, that exhibits excellent efficacy in an oral glucose tolerance test and an attractive pharmacokinetic profile. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.036
• 作为产物：
  描述：

  tert-butyl (2S)-2-[(pyrimidin-2-ylamino)methyl]pyrrolidine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine
  参考文献：
  名称：

  From lead to preclinical candidate: Optimization of β-homophenylalanine based inhibitors of dipeptidyl peptidase IV

  摘要：

  A series of highly potent and selective inhibitors of DPP-4 was optimized for ADMET properties. The effort resulted in the discovery of inhibitor 1g, that exhibits excellent efficacy in an oral glucose tolerance test and an attractive pharmacokinetic profile. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.036

文献信息

• From lead to preclinical candidate: Optimization of β-homophenylalanine based inhibitors of dipeptidyl peptidase IV
  作者：Sonja Nordhoff、Meritxell López-Canet、Barbara Hoffmann-Enger、Stephan Bulat、Silvia Cerezo-Gálvez、Oliver Hill、Claudia Rosenbaum、Christian Rummey、Meinolf Thiemann、Victor G. Matassa、Paul J. Edwards、Achim Feurer

  DOI：10.1016/j.bmcl.2009.06.036

  日期：2009.8

  A series of highly potent and selective inhibitors of DPP-4 was optimized for ADMET properties. The effort resulted in the discovery of inhibitor 1g, that exhibits excellent efficacy in an oral glucose tolerance test and an attractive pharmacokinetic profile. (C) 2009 Elsevier Ltd. All rights reserved.