9H-fluoren-9-ylmethyl N-[[(2S,4S)-5-(azanylidyne(113C)methyl)-1-[(1R,2S)-1-(azanylidyne(113C)methyl)-3-(5-hydroxy-2,4-dimethoxy-3-methylphenyl)-1-morpholin-4-ylpropan-2-yl]-4-[(5-hydroxy-2,4-dimethoxy-3-methylphenyl)methyl]imidazolidin-2-yl]methyl]carbamate | 1026315-62-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 9H-fluoren-9-ylmethyl N-[[(2S,4S)-5-(azanylidyne(113C)methyl)-1-[(1R,2S)-1-(azanylidyne(113C)methyl)-3-(5-hydroxy-2,4-dimethoxy-3-methylphenyl)-1-morpholin-4-ylpropan-2-yl]-4-[(5-hydroxy-2,4-dimethoxy-3-methylphenyl)methyl]imidazolidin-2-yl]methyl]carbamate
• CAS: 1026315-62-7
• 化学式: C₄₇H₅₄N₆O₉
• 分子量: 848.959
• InChiKey: HZWFAKLFNBUIFR-XOFBESDQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  62
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  191
• 氢给体数：
  4
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  9H-fluoren-9-ylmethyl N-[[(2S,4S)-5-(azanylidyne(113C)methyl)-1-[(1R,2S)-1-(azanylidyne(113C)methyl)-3-(5-hydroxy-2,4-dimethoxy-3-methylphenyl)-1-morpholin-4-ylpropan-2-yl]-4-[(5-hydroxy-2,4-dimethoxy-3-methylphenyl)methyl]imidazolidin-2-yl]methyl]carbamate 在 magnesium bromide 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以9%的产率得到9H-fluoren-9-ylmethyl N-[[(1R,2S,10R,12R,13S)-12-(azanylidyne(113C)methyl)-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17-dimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]carbamate
  参考文献：
  名称：

  One-Step Construction of the Pentacyclic Skeleton of Saframycin A from a “Trimer” of α-Amino Aldehydes

  摘要：

  GRAPHICSThe entire skeleton of the saframycin antitumor antibiotics is assembled in one remarkable transformation (8 -> 9) from an N-linked oligomer of three alpha-amino aldehyde components, a reaction pathway that may parallel the biosynthetic route to the saframycins.

  DOI：

  10.1021/ol0063398
• 作为产物：
  描述：

  在 哌啶 、 sodium sulfate 、 triethylamine tris(hydrogen fluoride) 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 3.0h， 生成 9H-fluoren-9-ylmethyl N-[[(2S,4S)-5-(azanylidyne(113C)methyl)-1-[(1R,2S)-1-(azanylidyne(113C)methyl)-3-(5-hydroxy-2,4-dimethoxy-3-methylphenyl)-1-morpholin-4-ylpropan-2-yl]-4-[(5-hydroxy-2,4-dimethoxy-3-methylphenyl)methyl]imidazolidin-2-yl]methyl]carbamate
  参考文献：
  名称：

  One-Step Construction of the Pentacyclic Skeleton of Saframycin A from a “Trimer” of α-Amino Aldehydes

  摘要：

  GRAPHICSThe entire skeleton of the saframycin antitumor antibiotics is assembled in one remarkable transformation (8 -> 9) from an N-linked oligomer of three alpha-amino aldehyde components, a reaction pathway that may parallel the biosynthetic route to the saframycins.

  DOI：

  10.1021/ol0063398

文献信息

• One-Step Construction of the Pentacyclic Skeleton of Saframycin A from a “Trimer” of α-Amino Aldehydes
  作者：Andrew G. Myers、Daniel W. Kung

  DOI：10.1021/ol0063398

  日期：2000.9.1

  GRAPHICSThe entire skeleton of the saframycin antitumor antibiotics is assembled in one remarkable transformation (8 -> 9) from an N-linked oligomer of three alpha-amino aldehyde components, a reaction pathway that may parallel the biosynthetic route to the saframycins.