(4R,12S,21S,29R)-13,20-dioxa-37-thia-3,30,36-triazaheptacyclo[30.3.1.115,18.04,12.05,10.021,29.023,28]heptatriaconta-1(36),5,7,9,15,17,23,25,27,32,34-undecaene-2,14,19,31-tetrone | 1005841-01-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: (4R,12S,21S,29R)-13,20-dioxa-37-thia-3,30,36-triazaheptacyclo[30.3.1.115,18.04,12.05,10.021,29.023,28]heptatriaconta-1(36),5,7,9,15,17,23,25,27,32,34-undecaene-2,14,19,31-tetrone
• CAS: 1005841-01-9
• 化学式: C₃₁H₂₃N₃O₆S
• 分子量: 565.606
• InChiKey: GDGKSQZEJZGZEM-KEKSMWEKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  41
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  152
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2 5-噻吩二羰酰二摧毁 、 2-N,6-N-bis[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2,6-dicarboxamide 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 10.0h， 以26%的产率得到(4R,12S,21S,29R)-13,20-dioxa-37-thia-3,30,36-triazaheptacyclo[30.3.1.115,18.04,12.05,10.021,29.023,28]heptatriaconta-1(36),5,7,9,15,17,23,25,27,32,34-undecaene-2,14,19,31-tetrone
  参考文献：
  名称：

  Synthesis, structure and biological activity of pseudopeptidic macrolides based on an amino alcohol

  摘要：

  A series of new pseudopeptidic macrolides 2a-f based on an amino alcohol were synthesized and evaluated for in vitro antibacterial and antifungal activities. The structure-activity relationships of these compounds were studied and the results showed that compounds 2a and 2d exhibited moderate antibacterial activity against Staphylococcus aureus, Bacillus subtilis and Escherichia coli, whereas compound 2e showed potent antifungal activity against all the fungal species tested, showing a promising broad-spectrum antifungal activity. All the compounds have been studied in vitro for the hemolytic activity as a measure of their cytotoxicity, showing that these compounds have low lytic properties. (C) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.03.011

文献信息

• Synthesis, structure and biological activity of pseudopeptidic macrolides based on an amino alcohol
  作者：Jian Lv、Tingting Liu、Yongmei Wang

  DOI：10.1016/j.ejmech.2007.03.011

  日期：2008.1

  A series of new pseudopeptidic macrolides 2a-f based on an amino alcohol were synthesized and evaluated for in vitro antibacterial and antifungal activities. The structure-activity relationships of these compounds were studied and the results showed that compounds 2a and 2d exhibited moderate antibacterial activity against Staphylococcus aureus, Bacillus subtilis and Escherichia coli, whereas compound 2e showed potent antifungal activity against all the fungal species tested, showing a promising broad-spectrum antifungal activity. All the compounds have been studied in vitro for the hemolytic activity as a measure of their cytotoxicity, showing that these compounds have low lytic properties. (C) 2007 Elsevier Masson SAS. All rights reserved.