Isobutyric acid (3S,6S,7R,8R)-8-benzyl-3-[(3-hydroxy-quinoxaline-2-carbonyl)-amino]-6-methyl-4,9-dioxo-[1,5]dioxonan-7-yl ester

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Isobutyric acid (3S,6S,7R,8R)-8-benzyl-3-[(3-hydroxy-quinoxaline-2-carbonyl)-amino]-6-methyl-4,9-dioxo-[1,5]dioxonan-7-yl ester
• 英文别名: [(3S,6S,7R,8R)-8-benzyl-6-methyl-4,9-dioxo-3-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]-1,5-dioxonan-7-yl] 2-methylpropanoate
• 化学式: C₂₈H₂₉N₃O₈
• 分子量: 535.554
• InChiKey: DALDBQXRGKEMNP-WKABAGCOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  150
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  Isobutyric acid (3S,6S,7R,8R)-3-amino-8-benzyl-6-methyl-4,9-dioxo-[1,5]dioxonan-7-yl ester; compound with toluene-4-sulfonic acid 、 3-羟基-2-喹喔啉羧酸 在 吡啶 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 以27%的产率得到Isobutyric acid (3S,6S,7R,8R)-8-benzyl-3-[(3-hydroxy-quinoxaline-2-carbonyl)-amino]-6-methyl-4,9-dioxo-[1,5]dioxonan-7-yl ester
  参考文献：
  名称：

  Semi-synthesis and biological evaluation of analogues of UK-2A, a novel antifungal antibiotic from Streptomyces sp. 517-02

  摘要：

  Several analogues of UK-2A, a novel antifungal antibiotic isolated from Streptomyces sp. 517-02, were semi-synthesized for structure-activity studies. In vitro antifungal activities of these compounds against Saccharomyces cerevisiae IFO 0203 were evaluated by the conventional paper disk method. Several derivatives exhibited growth inhibitory activity similar to UK-2A. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.065

文献信息

• Semi-synthesis and biological evaluation of analogues of UK-2A, a novel antifungal antibiotic from Streptomyces sp. 517-02
  作者：Yoshinosuke Usuki、Koichi Mitomo、Noriko Adachi、Xu Ping、Ken-Ichi Fujita、Osamu Sakanaka、Katsuharu Iinuma、Hideo Iio、Makoto Taniguchi

  DOI：10.1016/j.bmcl.2005.02.065

  日期：2005.4

  Several analogues of UK-2A, a novel antifungal antibiotic isolated from Streptomyces sp. 517-02, were semi-synthesized for structure-activity studies. In vitro antifungal activities of these compounds against Saccharomyces cerevisiae IFO 0203 were evaluated by the conventional paper disk method. Several derivatives exhibited growth inhibitory activity similar to UK-2A. (c) 2005 Elsevier Ltd. All rights reserved.