7-(3-Methylbut-2-enyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-12-one | 1412453-31-6

• 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: 7-(3-Methylbut-2-enyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-12-one
• 英文别名: 7-(3-methylbut-2-enyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-12-one
• CAS: 1412453-31-6
• 化学式: C₂₅H₂₁N₃O
• 分子量: 379.461
• InChiKey: XSZUMWTWHKPDTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  12,13-二氢-5H-吲哚并[2,3-a]吡咯并[3,4-C]咔唑-5,7(6H)-二酮 在 盐酸 、 tin 、 prenyltransferase from aspergillus fumigatus 、 calcium chloride 作用下， 以 溶剂黄146 、 二甲基亚砜 、 甘油 为溶剂， 反应 7.0h， 生成 7-(3-Methylbut-2-enyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-12-one
  参考文献：
  名称：

  Friedel–Crafts alkylation on indolocarbazoles catalyzed by two dimethylallyltryptophan synthases from Aspergillus

  摘要：

  Prenylated indolocarbazoles have been reported neither from natural sources, nor by chemical synthetic approaches. In this Letter, we report a regiospecific prenylation of indolocarbazoles at the para-position of the indole N-atom by two recombinant enzymes from the dimethylallyltryptophan synthase (DMATS) superfamily, that is, 5-DMATS from Aspergillus clavatus and FgaPT2 from Aspergillus fumigatus. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.10.039

文献信息

• Friedel–Crafts alkylation on indolocarbazoles catalyzed by two dimethylallyltryptophan synthases from Aspergillus
  作者：Xia Yu、Aigang Yang、Wenhan Lin、Shu-Ming Li

  DOI：10.1016/j.tetlet.2012.10.039

  日期：2012.12

  Prenylated indolocarbazoles have been reported neither from natural sources, nor by chemical synthetic approaches. In this Letter, we report a regiospecific prenylation of indolocarbazoles at the para-position of the indole N-atom by two recombinant enzymes from the dimethylallyltryptophan synthase (DMATS) superfamily, that is, 5-DMATS from Aspergillus clavatus and FgaPT2 from Aspergillus fumigatus. (C) 2012 Elsevier Ltd. All rights reserved.