6-((10S,13S)-10-Benzyl-11-oxo-3,9,12-triaza-tricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-13-ylmethoxy)-tetrahydro-pyran-2-carboxylic acid benzyl ester | 319922-14-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-((10S,13S)-10-Benzyl-11-oxo-3,9,12-triaza-tricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-13-ylmethoxy)-tetrahydro-pyran-2-carboxylic acid benzyl ester
• CAS: 319922-14-0
• 化学式: C₃₃H₃₅N₃O₅
• 分子量: 553.658
• InChiKey: JVDNQSZDZRUIJW-XLVGPZCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.89
• 重原子数：
  41.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  101.68
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6-((10S,13S)-10-Benzyl-11-oxo-3,9,12-triaza-tricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-13-ylmethoxy)-tetrahydro-pyran-2-carboxylic acid benzyl ester 在 palladium on activated charcoal 氢气 、 氢气 作用下， 以 甲醇 为溶剂， 生成 (10S,13S)-10-benzyl-9-[(3S)-3,7-dimethyloct-6-enyl]-5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoyl]-13-(hydroxymethyl)-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
  参考文献：
  名称：

  Natural Product Synthesis on Polymeric Supports—Synthesis and Biological Evaluation of an Indolactam Library

  摘要：

  Potent activators of protein kinase C in fibroblasts: This property was determined for several indolactam V analogues (1) with a new cell-based assay system. This tumor-promoting indole alkaloid and analogues thereof can be synthesized efficiently on the solid phase. The key steps of the combinatorial approach are a regioselective amination of the indole ring and an enantioselective enzymatic reaction.

  DOI：

  10.1002/(sici)1521-3773(19991004)38:19<2902::aid-anie2902>3.0.co;2-2
• 作为产物：
  描述：

  (S)-N-Benzyloxycarbonyl-4-(N-tert-butyloxycarbonyl)aminotryptophan methyl ester 在 palladium on activated charcoal N-甲基吗啉 、 2,6-二甲基吡啶 、 锂硼氢 、 氢气 、 氢气 、 1-羟基苯并三唑 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 6-((10S,13S)-10-Benzyl-11-oxo-3,9,12-triaza-tricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-13-ylmethoxy)-tetrahydro-pyran-2-carboxylic acid benzyl ester
  参考文献：
  名称：

  Natural Product Synthesis on Polymeric Supports—Synthesis and Biological Evaluation of an Indolactam Library

  摘要：

  Potent activators of protein kinase C in fibroblasts: This property was determined for several indolactam V analogues (1) with a new cell-based assay system. This tumor-promoting indole alkaloid and analogues thereof can be synthesized efficiently on the solid phase. The key steps of the combinatorial approach are a regioselective amination of the indole ring and an enantioselective enzymatic reaction.

  DOI：

  10.1002/(sici)1521-3773(19991004)38:19<2902::aid-anie2902>3.0.co;2-2

文献信息

• 10.1002/1521-3765(20001103)6:21<3943::aid-chem3943<3.3.co;2-k
  作者：Meseguer, Benjamin、Alonso-Diaz, Daniel、Griebenow, Nils、Herget, Thomas、Waldmann, Herbert

  DOI：10.1002/1521-3765(20001103)6:21<3943::aid-chem3943<3.3.co;2-k

  日期：——