A 81834

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: A 81834
• 英文别名: 2-[[3-[3-Tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropylidene]amino]oxyacetic acid；2-[[3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropylidene]amino]oxyacetic acid
• 化学式: C₃₆H₃₈ClN₃O₄S
• 分子量: 644.234
• InChiKey: GCWOCVTZGLAYIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  45
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  喹夫拉朋 在 草酰氯 、 dimethyl sulfide borane 作用下， 以 四氢呋喃 、 吡啶 、 乙醇 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 29.0h， 生成 A 81834
  参考文献：
  名称：

  O-alkylcarboxylate oxime and N-hydroxyurea analogs of substituted indole leukotriene biosynthesis inhibitors

  摘要：

  Reference FLAP inhibitors 1 and 2 were converted into the corresponding O-acetic acid oxime congeners 8 and 11a, respectively, resulting in potent, orally active, leukotriene biosynthesis inhibitors. An attempt to create a dual FLAP and direct 5-LO inhibitor by replacing the carboxylate group in 1 with the N-hydroxyurea pharmacophore did not provide superior inhibitors. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00271-5

文献信息

• O-alkylcarboxylate oxime and N-hydroxyurea analogs of substituted indole leukotriene biosynthesis inhibitors
  作者：Keith W. Woods、Clint D.W. Brooks、Robert G. Maki、Karen E. Rodriques、Jennifer B. Bouska、Patrick Young、Randy L. Bell、George W. Carter

  DOI：10.1016/s0960-894x(96)00271-5

  日期：1996.7

  Reference FLAP inhibitors 1 and 2 were converted into the corresponding O-acetic acid oxime congeners 8 and 11a, respectively, resulting in potent, orally active, leukotriene biosynthesis inhibitors. An attempt to create a dual FLAP and direct 5-LO inhibitor by replacing the carboxylate group in 1 with the N-hydroxyurea pharmacophore did not provide superior inhibitors. Copyright (C) 1996 Elsevier Science Ltd