[(5S)-5-(2-acetylphenyl)hexan-2-yl] 2-aminoacetate

• 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: [(5S)-5-(2-acetylphenyl)hexan-2-yl] 2-aminoacetate
• 化学式: C₁₆H₂₃NO₃
• 分子量: 277.36
• InChiKey: ZAQSQPXEVKAZEZ-PXYINDEMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• DERIVATIVE OF BUTYLPHTHALIDE AND PREPARATION METHOD AND USE THEREOF
  申请人：Shijiazhuang Yiling Pharmaceutical Co., Ltd.

  公开号：EP2767533A1

  公开（公告）日：2014-08-20

  (-)-(S)-3-(3'-hydroxy)-butylphthalide (a compound shown by Formula I) and an ester formed of the same and an acid are proved by experiments to be applicable to treatment and prevention of cerebral ischemic diseases and have a sleep-improving function. The acid refers to a pharmaceutically acceptable inorganic or organic acid. The inorganic acid refers to nitric acid, sulfuric acid, or phosphoric acid. In addition to an acid radical, the organic acid at least comprises at least one of an amino group, a hydroxyl group, and a carboxyl group. None of the compound shown by Formula I and the ester thereof is water-soluble. An ester generated from the compound and the acid further react with an acid or a base to generate a salt which is water-soluble and is used to prepare injection preparation. The experiment proves that the salt does not stimulate vessels.

  (经实验证明，(-)-(S)-3-(3'-羟基)-丁基苯酞（式 I 所示化合物）及其与一种酸形成的酯适用于治疗和预防脑缺血疾病，并具有改善睡眠的功能。酸是指药学上可接受的无机酸或有机酸。无机酸是指硝酸、硫酸或磷酸。除酸基外，有机酸至少包括氨基、羟基和羧基中的至少一个。式 I 所示化合物及其酯类均不溶于水。由该化合物和酸生成的酯进一步与酸或碱反应生成盐，该盐可溶于水，用于制备注射制剂。实验证明，该盐不会刺激血管。