9U,9U-flavolipid | 698359-87-4

• 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: 9U,9U-flavolipid
• 英文别名: 2-hydroxy-4-[5-[hydroxy-[(E)-7-methyloct-2-enoyl]amino]pentylamino]-2-[2-[5-[hydroxy-[(E)-7-methyloct-2-enoyl]amino]pentylamino]-2-oxoethyl]-4-oxobutanoic acid
• CAS: 698359-87-4
• 化学式: C₃₄H₆₀N₄O₉
• 分子量: 668.872
• InChiKey: PCSYGGQXWSCGJF-AYKLPDECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  47
• 可旋转键数：
  27
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  197
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  9U,9U-flavolipid 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以94%的产率得到9S,9S-flavolipid
  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：

  9U,9U-flavolipid tert-butyl ester 在 三氟乙酸 作用下， 反应 0.25h， 以65%的产率得到9U,9U-flavolipid
  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