5-methyl-4-(propylamino)isoxazole | 600638-87-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-methyl-4-(propylamino)isoxazole
• 英文别名: 5-methyl-N-propyl-1,2-oxazol-4-amine
• CAS: 600638-87-7
• 化学式: C₇H₁₂N₂O
• mdl: MFCD18820428
• 分子量: 140.185
• InChiKey: SFMNABLYHYZEAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  38.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-methyl-4-(propylamino)isoxazole 、 乙酸酐 在 sodium acetate 、 溶剂黄146 作用下， 生成 N-(5-Methyl-1,2-oxazol-4-yl)-N-propylacetamide
  参考文献：
  名称：

  Imidazoles: SAR and development of a potent class of cyclin-dependent kinase inhibitors

  摘要：

  An imidazole series of cyclin-dependent kinase (CDK) inhibitors has been developed. Protein inhibitor structure determination has provided an understanding of the emerging structure activity trends for the imidazole series. The introduction of a methyl sulfone at the aniline terminus led to a more orally bioavailable CDK inhibitor that was progressed into clinical development.

  DOI：

  10.1016/j.bmcl.2008.09.024
• 作为产物：
  描述：

  N-(5-甲基-1,2-恶唑-4-基)丙酰胺 在 dimethyl sulfide borane 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 5-methyl-4-(propylamino)isoxazole
  参考文献：
  名称：

  Imidazoles: SAR and development of a potent class of cyclin-dependent kinase inhibitors

  摘要：

  An imidazole series of cyclin-dependent kinase (CDK) inhibitors has been developed. Protein inhibitor structure determination has provided an understanding of the emerging structure activity trends for the imidazole series. The introduction of a methyl sulfone at the aniline terminus led to a more orally bioavailable CDK inhibitor that was progressed into clinical development.

  DOI：

  10.1016/j.bmcl.2008.09.024

文献信息

• Imidazoles: SAR and development of a potent class of cyclin-dependent kinase inhibitors
  作者：Malcolm Anderson、David M. Andrews、Andy J. Barker、Claire A. Brassington、Jason Breed、Kate F. Byth、Janet D. Culshaw、M. Raymond V. Finlay、Eric Fisher、Helen H.J. McMiken、Clive P. Green、Dave W. Heaton、Ian A. Nash、Nicholas J. Newcombe、Sandra E. Oakes、Richard A. Pauptit、Andrew Roberts、Judith J. Stanway、Andrew P. Thomas、Julie A. Tucker、Mike Walker、Hazel M. Weir

  DOI：10.1016/j.bmcl.2008.09.024

  日期：2008.10

  An imidazole series of cyclin-dependent kinase (CDK) inhibitors has been developed. Protein inhibitor structure determination has provided an understanding of the emerging structure activity trends for the imidazole series. The introduction of a methyl sulfone at the aniline terminus led to a more orally bioavailable CDK inhibitor that was progressed into clinical development.