[(1E,3R,4S,5R,6R,7E)-5-acetyloxy-8-[formyl(methyl)amino]-4,6-dimethyl-1-phenylocta-1,7-dien-3-yl] (2S)-2-(dimethylamino)propanoate | 1150546-98-7

• 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: [(1E,3R,4S,5R,6R,7E)-5-acetyloxy-8-[formyl(methyl)amino]-4,6-dimethyl-1-phenylocta-1,7-dien-3-yl] (2S)-2-(dimethylamino)propanoate
• CAS: 1150546-98-7
• 化学式: C₂₅H₃₆N₂O₅
• 分子量: 444.571
• InChiKey: RKQTYCPLLOBMNL-IHKKCCMMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  32
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (1E,3R,4R,5R,6R,7E)-5-hydroxy-4,6-dimethyl-8-(N-methylformamido)-1-phenylocta-1,7-dien-3-yl dimethyl-L-alaninate 、 乙酸酐 在 吡啶 、 4-二甲氨基吡啶 作用下， 以100%的产率得到[(1E,3R,4S,5R,6R,7E)-5-acetyloxy-8-[formyl(methyl)amino]-4,6-dimethyl-1-phenylocta-1,7-dien-3-yl] (2S)-2-(dimethylamino)propanoate
  参考文献：
  名称：

  Synthesis of actin-depolymerizing compounds

  摘要：

  The artificial actin-depolymerizing compounds 3-6, based on aplyronine A, an actin-depolymerizing antitumor marine macrolide, were synthesized, and their actin-depolymerizing activities and cytotoxicities were evaluated. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.068

文献信息

• Synthesis of actin-depolymerizing compounds
  作者：Kazuhiro Kitamura、Toshiaki Teruya、Takeshi Kuroda、Hideo Kigoshi、Kiyotake Suenaga

  DOI：10.1016/j.bmcl.2009.02.068

  日期：2009.4

  The artificial actin-depolymerizing compounds 3-6, based on aplyronine A, an actin-depolymerizing antitumor marine macrolide, were synthesized, and their actin-depolymerizing activities and cytotoxicities were evaluated. (C) 2009 Elsevier Ltd. All rights reserved.