[3-(3-Amino-5-methyl-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine | 195055-73-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [3-(3-Amino-5-methyl-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine
• 英文别名: 3-(3-amino-5-methylpyridin-2-yl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
• CAS: 195055-73-3
• 化学式: C₂₀H₂₈N₆
• 分子量: 352.483
• InChiKey: HQCGEPIYJUYCFK-UHFFFAOYSA-N

物化性质

• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  72.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲醇 、 [3-(3-Amino-5-methyl-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine 在 盐酸 、 sodium nitrite 作用下， 生成 [3-(3-Methoxy-5-methyl-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine
  参考文献：
  名称：

  Design and synthesis of 3-(2-pyridyl)pyrazolo[1,5-a]pyrimidines as potent CRF1 receptor antagonists

  摘要：

  A series of 3-(2-pyridyl)pyrazolo[1,5-a]pyrimidines was designed and synthesized as antagonists for the corticotrophinreleasing factor-1 (CRF1) receptor. Several compounds such as 20c (K-i = 10nM) exhibited good binding affinities at the CRF1 receptor. In addition, 20c had adequate solubility in water. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.056
• 作为产物：
  描述：

  7-Chloro-2,5-dimethyl-3-(5-methyl-3-nitro-pyridin-2-yl)-pyrazolo[1,5-a]pyrimidine 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 乙腈 为溶剂， 生成 [3-(3-Amino-5-methyl-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine
  参考文献：
  名称：

  Design and synthesis of 3-(2-pyridyl)pyrazolo[1,5-a]pyrimidines as potent CRF1 receptor antagonists

  摘要：

  A series of 3-(2-pyridyl)pyrazolo[1,5-a]pyrimidines was designed and synthesized as antagonists for the corticotrophinreleasing factor-1 (CRF1) receptor. Several compounds such as 20c (K-i = 10nM) exhibited good binding affinities at the CRF1 receptor. In addition, 20c had adequate solubility in water. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.056

文献信息

• Design and synthesis of 3-(2-pyridyl)pyrazolo[1,5-a]pyrimidines as potent CRF1 receptor antagonists
  作者：Charles Q Huang、Keith M Wilcoxen、Dimitri E Grigoriadis、James R McCarthy、Chen Chen

  DOI：10.1016/j.bmcl.2004.05.056

  日期：2004.8

  A series of 3-(2-pyridyl)pyrazolo[1,5-a]pyrimidines was designed and synthesized as antagonists for the corticotrophinreleasing factor-1 (CRF1) receptor. Several compounds such as 20c (K-i = 10nM) exhibited good binding affinities at the CRF1 receptor. In addition, 20c had adequate solubility in water. (C) 2004 Elsevier Ltd. All rights reserved.