6-O-isovalerylatractysucrose-I

• 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: 6-O-isovalerylatractysucrose-I
• 英文别名: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-bis(3-methylbutanoyloxy)-2,5-bis(3-methylbutanoyloxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-5-(3-methylbutanoyloxy)oxan-2-yl]methyl 3-methylbutanoate
• 化学式: C₄₂H₇₀O₁₇
• 分子量: 847.008
• InChiKey: OYQVSRNTVXFRSF-YDRRCBQUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  59
• 可旋转键数：
  29
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  226
• 氢给体数：
  2
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  异戊酸 、 1',2,3',4',6'-pentakis-O-(3-methylbutanoyl)-β-D-fructofuranosyl α-D-glucopyranoside 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以34%的产率得到6-O-isovalerylatractysucrose-I
  参考文献：
  名称：

  Facilely accessible multidrug resistance modulator derived from sucrose

  摘要：

  Exploration for new MDR-modulators utilizing atractysucroses as scaffolds disclosed 2,3,4,3,4'-O--pentaisovalerylsucrose (9) as a readily accessible medicinal lead. This lead was prepared from sucrose in 65% total yield for three steps. In addition, compound 9 exhibited more potent MDR modulating activity than verapamil, a representative modulator of MDR mediated by P-gp. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00702-3

文献信息

• Facilely accessible multidrug resistance modulator derived from sucrose
  作者：Nobutoshi Murakami、Satoru Tamura、Etsuko Iwata、Shunji Aoki、Shin-ichi Akiyama、Motomasa Kobayashi

  DOI：10.1016/s0960-894x(02)00702-3

  日期：2002.11

  Exploration for new MDR-modulators utilizing atractysucroses as scaffolds disclosed 2,3,4,3,4'-O--pentaisovalerylsucrose (9) as a readily accessible medicinal lead. This lead was prepared from sucrose in 65% total yield for three steps. In addition, compound 9 exhibited more potent MDR modulating activity than verapamil, a representative modulator of MDR mediated by P-gp. (C) 2002 Elsevier Science Ltd. All rights reserved.