β-(Pentylamino)crotonsaeure-ethylester | 60913-99-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: β-(Pentylamino)crotonsaeure-ethylester
• CAS: 60913-99-7
• 化学式: C₁₁H₂₁NO₂
• 分子量: 199.293
• InChiKey: ZZYHDHGNDWCPGR-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  14.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  β-(Pentylamino)crotonsaeure-ethylester 在 sodium hydroxide 作用下， 以 various solvent(s) 为溶剂， 反应 3.0h， 生成 4-Hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-1,6-dihydro-pyridine-3-carboxylic acid
  参考文献：
  名称：

  Anti-mycobacterial 4-hydroxy-3-phenylpyridin-2 (1H)-ones

  摘要：

  4-Hydroxy-3-phenylpyridin-2 (1H)-ones with different substituents either at N-1 or in the phenyl group were synthesized by reaction of ethyl-beta-aminocrotonates with dialkyl malonates or 'magic malonates' (2,4,6-trichlorophenyl malonates). The evaluation of these compounds on Mycobacterium tuberculosis H37Ra, Escherichia coli B and Staphylococcus aureus ATCC 25923 showed significant inhibitory effects on M tuberculosis (5g and 5s, MIC = 8-mu-g/ml). A structure-activity relationship is discussed.

  DOI：

  10.1016/0223-5234(91)90194-r

文献信息

• Anti-mycobacterial 4-hydroxy-3-phenylpyridin-2 (1H)-ones
  作者：G Dannhardt、W Meindl、BD Schober、T Kappe

  DOI：10.1016/0223-5234(91)90194-r

  日期：1991.9

  4-Hydroxy-3-phenylpyridin-2 (1H)-ones with different substituents either at N-1 or in the phenyl group were synthesized by reaction of ethyl-beta-aminocrotonates with dialkyl malonates or 'magic malonates' (2,4,6-trichlorophenyl malonates). The evaluation of these compounds on Mycobacterium tuberculosis H37Ra, Escherichia coli B and Staphylococcus aureus ATCC 25923 showed significant inhibitory effects on M tuberculosis (5g and 5s, MIC = 8-mu-g/ml). A structure-activity relationship is discussed.