| 1018855-95-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1018855-95-2
• 化学式: C₂₇H₃₁N₃O₃
• 分子量: 445.561
• InChiKey: RGBSHQQMFGPQMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.37
• 重原子数：
  33.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  66.24
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 在 4-二甲氨基吡啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Novel echinocandin antifungals. Part 1: Novel side-chain analogs of the natural product FR901379

  摘要：

  A series of novel acylated analogs of the novel water-soluble echinocandin FR901379 have been prepared and evaluated for antifungal and hemolytic activity. A relationship between antifungal activity and lipophilicity of the acyl side chain, expressed as ClogP was demonstrated, and an analog (3c) with 5.5- to 8-fold superior in vivo activity relative to the previously disclosed 4-(n-octyloxy) benzoyl side chain analog, FR131535 obtained. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.062
• 作为产物：
  描述：

  6-n-decyloxynaphthalene-2-carboxylic acid 、 1-羟基苯并三唑 在 WSCD*HCl 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Novel echinocandin antifungals. Part 1: Novel side-chain analogs of the natural product FR901379

  摘要：

  A series of novel acylated analogs of the novel water-soluble echinocandin FR901379 have been prepared and evaluated for antifungal and hemolytic activity. A relationship between antifungal activity and lipophilicity of the acyl side chain, expressed as ClogP was demonstrated, and an analog (3c) with 5.5- to 8-fold superior in vivo activity relative to the previously disclosed 4-(n-octyloxy) benzoyl side chain analog, FR131535 obtained. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.062