(1s)-2-[1-(3-chloro-benzyl)-1H-indazol-3-oxy]propanedioic acid | 1227057-64-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: (1s)-2-[1-(3-chloro-benzyl)-1H-indazol-3-oxy]propanedioic acid
• 英文别名: 2-[1-(3-chloro-benzyl)-1H-indazole-3-oxy]propanedioic acid；2-[1-(3-chloro-benzyl)-1H-indazol-3-oxy]propanedioic acid；2-[1-(3-chloro-benzyl)-1H-indazole-3-yloxy]malonic acid；2-[1-[(3-Chlorophenyl)methyl]indazol-3-yl]oxypropanedioic acid
• CAS: 1227057-64-8
• 化学式: C₁₇H₁₃ClN₂O₅
• 分子量: 360.754
• InChiKey: PCAPBPMYBKTJCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1s)-2-[1-(3-chloro-benzyl)-1H-indazol-3-oxy]propanedioic acid 在 potassium hydroxide 作用下， 以 水 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Synthesis and biological evaluations of novel bendazac lysine analogues as potent anticataract agents

  摘要：

  Novel bendazac analogues and their salts have been designed and prepared. The resulting compounds (13c-d, 15c, 17c) showed very good aqueous solubility (> 100 mg/mL). An in vitro assay showed that most of the resulting compounds had potent protective activity against the oxidative damage. Particularly, compound 13d was also able to enhance the WSP and T-AOC level in the H2O2/FeCl3-induced oxidative damage model, indicating the resulting compound may protect the lens through an antioxidant pathway. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.061
• 作为产物：
  描述：

  Diethyl 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxypropanedioate 在 水 、 potassium hydroxide 作用下， 反应 2.0h， 生成 (1s)-2-[1-(3-chloro-benzyl)-1H-indazol-3-oxy]propanedioic acid
  参考文献：
  名称：

  Synthesis and biological evaluations of novel bendazac lysine analogues as potent anticataract agents

  摘要：

  Novel bendazac analogues and their salts have been designed and prepared. The resulting compounds (13c-d, 15c, 17c) showed very good aqueous solubility (> 100 mg/mL). An in vitro assay showed that most of the resulting compounds had potent protective activity against the oxidative damage. Particularly, compound 13d was also able to enhance the WSP and T-AOC level in the H2O2/FeCl3-induced oxidative damage model, indicating the resulting compound may protect the lens through an antioxidant pathway. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.061

文献信息

• ORGANIC DICARBOXYLIC ACIDS, SALTS AND PREPARATION METHOD THEREOF
  申请人：Gou Shaohua

  公开号：US20120226051A1

  公开（公告）日：2012-09-06

  Organic dicarboxylic acid compounds, salts and preparation methods thereof. The said compounds have activity of resisting oxidation damage to crystalline lens of eyes. The structures of the above organic dicarboxylic acid compounds are shown as formula (1).

  有机二羧酸化合物、盐及其制备方法。所述化合物具有抵抗氧化损伤晶状体活性的作用。上述有机二羧酸化合物的结构如式（1）所示。
• US8637677B2
  申请人：——

  公开号：US8637677B2

  公开（公告）日：2014-01-28