(2S,Z)-2-amino-6-([(5-bromo-2-oxo-indolin-3-ylidene)methyl]amino)hexanoic acid hydrochloride | 1093237-91-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S,Z)-2-amino-6-([(5-bromo-2-oxo-indolin-3-ylidene)methyl]amino)hexanoic acid hydrochloride
• 英文别名: (2S)-2-amino-6-[[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]amino]hexanoic acid;hydrochloride
• CAS: 1093237-91-2
• 化学式: C₁₅H₁₈BrN₃O₃*ClH
• 分子量: 404.691
• InChiKey: YAIUGUGPACLJLY-FNDPATMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  23.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  104.45
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (E)-5-bromo-3-ethoxymethyleneindolin-2-one 、 N-alpha-叔丁氧羰基-L-赖氨酸 在 盐酸 作用下， 以 乙醇 、 水 、 乙醚 为溶剂， 反应 49.5h， 生成 (2S,E)-2-amino-6-([(5-bromo-2-oxo-indolin-3-ylidene)methyl]amino)hexanoic acid hydrochloride 、 (2S,Z)-2-amino-6-([(5-bromo-2-oxo-indolin-3-ylidene)methyl]amino)hexanoic acid hydrochloride
  参考文献：
  名称：

  Synthesis and biological evaluation of diversely substituted indolin-2-ones

  摘要：

  The synthesis of indolin-2-one derivatives substituted in the 3-position by an aminomethylene group bearing either an ornithine or a lysine residue is described. The inhibitory activities of these compounds toward a panel of eight kinases were examined. Further-more, the antibacterial activities of the prepared compounds were tested against two Gram-positive bacteria Bacillus cereus and Streptomyces chartreusis, a Gram-negative bacterium Escherichia coli and a yeast Candida albicans. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.01.010

文献信息

• Synthesis and biological evaluation of diversely substituted indolin-2-ones
  作者：Fadoua Bouchikhi、Emilie Rossignol、Martine Sancelme、Bettina Aboab、Fabrice Anizon、Doriano Fabbro、Michelle Prudhomme、Pascale Moreau

  DOI：10.1016/j.ejmech.2008.01.010

  日期：2008.11

  The synthesis of indolin-2-one derivatives substituted in the 3-position by an aminomethylene group bearing either an ornithine or a lysine residue is described. The inhibitory activities of these compounds toward a panel of eight kinases were examined. Further-more, the antibacterial activities of the prepared compounds were tested against two Gram-positive bacteria Bacillus cereus and Streptomyces chartreusis, a Gram-negative bacterium Escherichia coli and a yeast Candida albicans. (C) 2008 Elsevier Masson SAS. All rights reserved.