(1R,4S,7S,9S)-4-benzyl-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione | 1221435-63-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (1R,4S,7S,9S)-4-benzyl-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
• CAS: 1221435-63-7
• 化学式: C₂₅H₂₇N₃O₂
• 分子量: 401.508
• InChiKey: KAEZOXVVNQPLKP-BKUKFAEQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  61.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  DMAPP 、 环(L-苯丙氨酰-L-色氨酰) 在 phenyltransferase Escherichia Coli XL₁ Blue MRF' 、 三羟甲基氨基甲烷盐酸盐 、 甘油 、 calcium chloride 作用下， 反应 24.0h， 生成 (1R,4S,7S,9S)-4-benzyl-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
  参考文献：
  名称：

  Reconstruction of pyrrolo[2,3-b]indoles carrying an α-configured reverse C3-dimethylallyl moiety by using recombinant enzymes

  摘要：

  通过使用两种重组酶，成功制备了九种反向C3-异戊烯基化的吡咯并[2,3-b]吲哚，这些酶参与从新青霉（Neosartorya fischeri）中生物合成乙酰紫草素。异戊烯基转移酶AnaPT催化六种含色氨酸的环状二肽转化为反向C3-异戊烯基化的�

  DOI：

  10.1039/b922440h

文献信息

• Reconstruction of pyrrolo[2,3-b]indoles carrying an α-configured reverse C3-dimethylallyl moiety by using recombinant enzymes
  作者：Wen-Bing Yin、Xiu-Lan Xie、Marco Matuschek、Shu-Ming Li

  DOI：10.1039/b922440h

  日期：——

  Nine reversely C3-prenylated pyrrolo[2,3-b]indoles were successfully prepared by using two recombinant enzymes involved in the biosynthesis of acetylaszonalenin from Neosartorya fischeri. The prenyltransferase AnaPT catalysed the conversion of six tryptophan-containing cyclic dipeptides to reversely C3-prenylated indoline derivatives. Using cyclo-L-Trp-L-Trp as substrate, both mono- and diprenylated indolines were obtained. Two of the AnaPT products were acetylated at position N1 by the acetyltransferase AnaAT. The structures of the obtained compounds were characterised by HR-ESI-MS, 1H- and 13C-NMR analyses as well as by long-range 1H-13C connectivities in heteronuclear multiple-bond correlation (HMBC) spectra after preparative isolation. Their absolute configurations were determined by analysing the 1H-1H spatial correlations in rotating-frame nuclear overhauser effect spectroscopy (ROESY).

  通过使用两种重组酶，成功制备了九种反向C3-异戊烯基化的吡咯并[2,3-b]吲哚，这些酶参与从新青霉（Neosartorya fischeri）中生物合成乙酰紫草素。异戊烯基转移酶AnaPT催化六种含色氨酸的环状二肽转化为反向C3-异戊烯基化的�