O,O-dibenzyl-6S,6S-flavolipid tert-butyl ester | 1258519-39-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: O,O-dibenzyl-6S,6S-flavolipid tert-butyl ester
• CAS: 1258519-39-9
• 化学式: C₄₆H₇₂N₄O₉
• 分子量: 825.099
• InChiKey: SKDNVASYHSJJDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.21
• 重原子数：
  59.0
• 可旋转键数：
  29.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  163.81
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  O,O-dibenzyl-6S,6S-flavolipid tert-butyl ester 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 6S,6S-flavolipid tert-butyl ester
  参考文献：
  名称：

  Synthesis and biological activities of flavolipids

  摘要：

  Syntheses of the bacterial surfactants 6S 6S- 9S 9S- and 9U 9U-flavolipids confirmed the structures proposed for them from spectroscopic analysis of a flavolipid mixture and made pure flavolipids available for the first time All three synthetic flavolipids and a straight chain analogue were found to be weakly cytotoxic and to inhibit metastatic cancer cell migration with 9U 9U-fiavolipid (the most abundant natural flavolipid) having the most activity Biosynthetic routes to the branched side-chains of the flavolipids are suggested and it is proposed that branched chains are employed to hinder biodegradation (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.09.088
• 作为产物：
  描述：

  N'-benzyloxy-N'-(4'-methylpentanoyl)-cadaverinium trifluoroacetate 、 1,3-bis-(N-succinimidyl) 2-tert-butyl citrate 在 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 O,O-dibenzyl-6S,6S-flavolipid tert-butyl ester
  参考文献：
  名称：

  Synthesis and biological activities of flavolipids

  摘要：

  Syntheses of the bacterial surfactants 6S 6S- 9S 9S- and 9U 9U-flavolipids confirmed the structures proposed for them from spectroscopic analysis of a flavolipid mixture and made pure flavolipids available for the first time All three synthetic flavolipids and a straight chain analogue were found to be weakly cytotoxic and to inhibit metastatic cancer cell migration with 9U 9U-fiavolipid (the most abundant natural flavolipid) having the most activity Biosynthetic routes to the branched side-chains of the flavolipids are suggested and it is proposed that branched chains are employed to hinder biodegradation (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.09.088