N-(3,5-二甲基-4-异恶唑基)-N-甲基-乙酰胺 | 403793-51-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: N-(3,5-二甲基-4-异恶唑基)-N-甲基-乙酰胺
• 英文名称: 3,5-dimethyl-4-(N-methylacetamido)isoxazole
• 英文别名: Acetamide,N-(3,5-dimethyl-4-isoxazolyl)-N-methyl-；N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
• CAS: 403793-51-1
• 化学式: C₈H₁₂N₂O₂
• 分子量: 168.195
• InChiKey: CDICMYAUZWVDRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(3,5-二甲基-4-异恶唑基)-N-甲基-乙酰胺 在 palladium 10% on activated carbon 、 氢气 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、400.01 kPa 条件下， 反应 3.0h， 生成 1-(1,2,4-三甲基-1H-咪唑-5-基)乙酮
  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：

  3,5-dimethyl-4-methylaminoisoxazole 、 乙酸酐 在 sodium acetate 、 溶剂黄146 作用下， 生成 N-(3,5-二甲基-4-异恶唑基)-N-甲基-乙酰胺
  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

• Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds
  申请人：Guiles Joseph

  公开号：US20120015941A1

  公开（公告）日：2012-01-19

  The present invention provides novel amide and sulfonamide substituted heterocyclic urea compounds having useful antibacterial activity. Use of these compounds as pharmaceutical compositions and method of their production are also provided.

  本发明提供了一种具有有用的抗菌活性的新型酰胺和磺酰胺取代的杂环脲化合物。还提供了这些化合物作为药物组成物的使用和它们的制备方法。
• IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION
  申请人：AstraZeneca AB

  公开号：EP1351958B1

  公开（公告）日：2004-06-16
• US8148380B2
  申请人：——

  公开号：US8148380B2

  公开（公告）日：2012-04-03