| 463356-34-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• CAS: 463356-34-5
• 化学式: C₄₂H₅₉NO₇
• 分子量: 689.933
• InChiKey: DTTQJMXTLWAOEA-OGQQYXORSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.16
• 重原子数：
  50.0
• 可旋转键数：
  12.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  83.53
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以77%的产率得到
  参考文献：
  名称：

  Synthesis and evaluation of N-substituted 1,4-oxazepanyl sordaricins as selective fungal EF-2 inhibitors

  摘要：

  Sordaricin analogues possessing 6-methoxy-7-methyl-1,4-oxazepane moiety instead of the sugar part were synthesized and evaluated. It was found that N-substituents on the oxazepane ring had influence on biological activity. In particular, N-(2-methylpropenyl) derivative 12p exhibited potent in vitro antifungal activity. Furthermore, 12p maintained significant activity (MIC 0.25 mug/mL) against Candida albicans SANK51486 even in the presence of 20% horse serum. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00290-1
• 作为产物：
  描述：

  在 盐酸 、 sodium periodate 、 Wilkinson's catalyst 、 sodium cyanoborohydride 、 碳酸氢钠 、 potassium carbonate 、 溶剂黄146 、 potassium iodide 作用下， 以 甲醇 、 乙醇 、 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and evaluation of N-substituted 1,4-oxazepanyl sordaricins as selective fungal EF-2 inhibitors

  摘要：

  Sordaricin analogues possessing 6-methoxy-7-methyl-1,4-oxazepane moiety instead of the sugar part were synthesized and evaluated. It was found that N-substituents on the oxazepane ring had influence on biological activity. In particular, N-(2-methylpropenyl) derivative 12p exhibited potent in vitro antifungal activity. Furthermore, 12p maintained significant activity (MIC 0.25 mug/mL) against Candida albicans SANK51486 even in the presence of 20% horse serum. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00290-1