sodium 3-[3-tert-butylsulfanyl-1-[4-(5-methoxypyrimidin-2-yl)-benzyl]-5-(5-methyl-pyridin-2-yl-methoxy)-1H-indol-2-yl]-2,2-dimethyl-propionate | 1233114-34-5

• 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: sodium 3-[3-tert-butylsulfanyl-1-[4-(5-methoxypyrimidin-2-yl)-benzyl]-5-(5-methyl-pyridin-2-yl-methoxy)-1H-indol-2-yl]-2,2-dimethyl-propionate
• 英文别名: AM643；3-{3-tert-Butylthio-1-(4-(5-methoxypyrimidin-2-yl)benzyl)-5-(5-methylpyridin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropionic acid；sodium;3-[3-tert-butylsulfanyl-1-[[4-(5-methoxypyrimidin-2-yl)phenyl]methyl]-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-2,2-dimethylpropanoate
• CAS: 1233114-34-5
• 化学式: C₃₆H₃₉N₄O₄S*Na
• 分子量: 646.786
• InChiKey: UFKVTMVFNCOIKU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.65
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-[3-tert-butylsulfanyl-1-[4-(5-methoxypyrimidin-2-yl)benzyl]-5-(5-methylpyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropionic acid 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以100%的产率得到sodium 3-[3-tert-butylsulfanyl-1-[4-(5-methoxypyrimidin-2-yl)-benzyl]-5-(5-methyl-pyridin-2-yl-methoxy)-1H-indol-2-yl]-2,2-dimethyl-propionate
  参考文献：
  名称：

  5-Lipoxygenase-activating protein inhibitors. Part 3: 3-{3-tert-Butylsulfanyl-1-[4-(5-methoxy-pyrimidin-2-yl)-benzyl]-5-(5-methyl-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid (AM643)—A potent FLAP inhibitor suitable for topical administration

  摘要：

  AM643 (compound 6, 3-{3-tert-butylsulfanyl-1-[4-(5-methoxy-pyrimidin-2-yl)-benzyl]-5-(5-methylpyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid) was identified as a potential candidate for formulation as a topical agent for the treatment of skin disorders involving leukotriene production. Dermal application of 6 using a prototypical vehicle in a murine ear arachidonic acid model showed significant reduction in the concentrations of leukotrienes in mouse skin with concomitant reduction in ear swelling. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.011

文献信息

• 5-Lipoxygenase-activating protein inhibitors. Part 3: 3-{3-tert-Butylsulfanyl-1-[4-(5-methoxy-pyrimidin-2-yl)-benzyl]-5-(5-methyl-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid (AM643)—A potent FLAP inhibitor suitable for topical administration
  作者：Nicholas Stock、Christopher Baccei、Gretchen Bain、Charles Chapman、Lucia Correa、Janice Darlington、Christopher King、Catherine Lee、Daniel S. Lorrain、Pat Prodanovich、Angelina Santini、Kevin Schaab、Jilly F. Evans、John H. Hutchinson、Peppi Prasit

  DOI：10.1016/j.bmcl.2010.06.011

  日期：2010.8

  AM643 (compound 6, 3-3-tert-butylsulfanyl-1-[4-(5-methoxy-pyrimidin-2-yl)-benzyl]-5-(5-methylpyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid) was identified as a potential candidate for formulation as a topical agent for the treatment of skin disorders involving leukotriene production. Dermal application of 6 using a prototypical vehicle in a murine ear arachidonic acid model showed significant reduction in the concentrations of leukotrienes in mouse skin with concomitant reduction in ear swelling. (C) 2010 Elsevier Ltd. All rights reserved.