1-[2-(4-Carboxy-2-chloro-phenoxy)-ethyl]-3-dodecanoyl-1H-indole-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-[2-(4-Carboxy-2-chloro-phenoxy)-ethyl]-3-dodecanoyl-1H-indole-2-carboxylic acid
• 英文别名: 1-[2-(4-carboxy-2-chlorophenoxy)ethyl]-3-dodecanoylindole-2-carboxylic acid
• 化学式: C₃₀H₃₆ClNO₆
• 分子量: 542.072
• InChiKey: PFIZMMJSVZRUTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  38
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氯-4-羟基苯甲酸甲酯 在 氢氧化钾 、 18-冠醚-6 、 sodium ethanolate 作用下， 以 乙醇 、 苯 为溶剂， 反应 1.5h， 生成 1-[2-(4-Carboxy-2-chloro-phenoxy)-ethyl]-3-dodecanoyl-1H-indole-2-carboxylic acid
  参考文献：
  名称：

  Novel 3-dodecanoylindole-2-carboxylic acid inhibitors of cytosolic phospholipase A2

  摘要：

  Derivatives of 1-[2-(4-carboxyphenoxy)ethyl]-3-dodecanoylindole-2-carboxylic acid (4) with modified substituents at the indole-1-position were synthesized and evaluated for their ability to inhibit the arachidonic acid release in human platelets mediated by the cytosolic phospholipase A(2). One of the most active compounds obtained was 26 with an IC50 of 0.44 muM. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00472-3

文献信息

• Novel 3-dodecanoylindole-2-carboxylic acid inhibitors of cytosolic phospholipase A2
  作者：Matthias Lehr、Monika Klimt、Alwine Schulze Elfringhoff

  DOI：10.1016/s0960-894x(01)00472-3

  日期：2001.10

  Derivatives of 1-[2-(4-carboxyphenoxy)ethyl]-3-dodecanoylindole-2-carboxylic acid (4) with modified substituents at the indole-1-position were synthesized and evaluated for their ability to inhibit the arachidonic acid release in human platelets mediated by the cytosolic phospholipase A(2). One of the most active compounds obtained was 26 with an IC50 of 0.44 muM. (C) 2001 Elsevier Science Ltd. All rights reserved.