2-[1-(4-methyl-benzyl)-1H-indazole-3-oxy]propanedioic acid | 1227057-62-6

• 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: 2-[1-(4-methyl-benzyl)-1H-indazole-3-oxy]propanedioic acid
• 英文别名: 2-[1-(4-methyl-benzyl)-1H-indazol-3-oxy]propanedioic acid；2-[1-(4-methyl-benzyl)-1H-indazole-3-yloxy]malonic acid；2-[1-[(4-Methylphenyl)methyl]indazol-3-yl]oxypropanedioic acid
• CAS: 1227057-62-6
• 化学式: C₁₈H₁₆N₂O₅
• 分子量: 340.335
• InChiKey: YXVMMSDDHDNKBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  2-[1-(4-methyl-benzyl)-1H-indazole-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-[(4-methylphenyl)methyl]indazol-3-yl]oxypropanedioate 在 水 、 potassium hydroxide 作用下， 反应 2.0h， 生成 2-[1-(4-methyl-benzyl)-1H-indazole-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

• Synthesis and biological evaluations of novel bendazac lysine analogues as potent anticataract agents
  作者：Hong Shen、Shaohua Gou、Jianping Shen、Yanqin Zhu、Yindi Zhang、Xuetai Chen

  DOI：10.1016/j.bmcl.2010.02.061

  日期：2010.4

  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.