methyl (3S)-6-amino-3-[(4-methylphenyl)sulfonylamino]hexanoate | 729554-57-8

• 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: methyl (3S)-6-amino-3-[(4-methylphenyl)sulfonylamino]hexanoate
• CAS: 729554-57-8
• 化学式: C₁₄H₂₂N₂O₄S
• 分子量: 314.406
• InChiKey: AOMJVBBKQSMQEK-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl (3S)-6-amino-3-[(4-methylphenyl)sulfonylamino]hexanoate 在 lithium hydroxide 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 生成 (S)-3-(N-tosylamino)-6-[N-(p-amidinophenylacetyl)amino]hexanoic acid
  参考文献：
  名称：

  Beta-amino acid derivatives as orally active non-peptide fibrinogen receptor antagonists

  摘要：

  The ornithine sulfonamide 1 was identified by random screening as weak fibrinogen receptor antagonist. Homologation of the carboxylic acid function and further structure activity studies led to the development of novel beta-amino acid derivatives, which are potent and orally active antagonists of the platelet fibrinogen receptor GPIIb/IIIa. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00095-4
• 作为产物：
  描述：

  苄基叔丁基(7-重氮-6-氧代庚烷-1,5-二基)(S)-二氨基甲酸酯 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 1,4-二氧六环 、 三乙胺 为溶剂， 生成 methyl (3S)-6-amino-3-[(4-methylphenyl)sulfonylamino]hexanoate
  参考文献：
  名称：

  Beta-amino acid derivatives as orally active non-peptide fibrinogen receptor antagonists

  摘要：

  The ornithine sulfonamide 1 was identified by random screening as weak fibrinogen receptor antagonist. Homologation of the carboxylic acid function and further structure activity studies led to the development of novel beta-amino acid derivatives, which are potent and orally active antagonists of the platelet fibrinogen receptor GPIIb/IIIa. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00095-4

文献信息

• Beta-amino acid derivatives as orally active non-peptide fibrinogen receptor antagonists
  作者：Georg Kottirsch、Hans-Günther Zerwes、Nigel S. Cook、Carlo Tapparelli

  DOI：10.1016/s0960-894x(97)00095-4

  日期：1997.3

  The ornithine sulfonamide 1 was identified by random screening as weak fibrinogen receptor antagonist. Homologation of the carboxylic acid function and further structure activity studies led to the development of novel beta-amino acid derivatives, which are potent and orally active antagonists of the platelet fibrinogen receptor GPIIb/IIIa. (C) 1997 Elsevier Science Ltd.