methyl N-[(E)-5-[4-hydroxy-5-[(E)-3-(1H-indol-5-yl)prop-2-enoyl]-6-oxopyran-2-yl]pent-1-enyl]carbamate | 1000993-07-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: methyl N-[(E)-5-[4-hydroxy-5-[(E)-3-(1H-indol-5-yl)prop-2-enoyl]-6-oxopyran-2-yl]pent-1-enyl]carbamate
• CAS: 1000993-07-6
• 化学式: C₂₃H₂₂N₂O₆
• 分子量: 422.437
• InChiKey: ZPIBVRWCOXQZAD-KLGRRIHOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲醇 、 反应 18.0h， 生成 methyl N-[(E)-5-[4-hydroxy-5-[(E)-3-(1H-indol-5-yl)prop-2-enoyl]-6-oxopyran-2-yl]pent-1-enyl]carbamate
  参考文献：
  名称：

  Syntheses of novel myxopyronin B analogs as potential inhibitors of bacterial RNA polymerase

  摘要：

  Based upon observations from our initial findings, additional myxopyronin B analogs have been prepared and tested for in vitro inhibitory activity against DNA-dependent RNA polymerase and antibacterial activity against Escherichia coli and Staphylococcus aureus. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.017

文献信息

• Syntheses of novel myxopyronin B analogs as potential inhibitors of bacterial RNA polymerase
  作者：Ricardo Lira、Alan X. Xiang、Thomas Doundoulakis、William T. Biller、Konstantinos A. Agrios、Klaus B. Simonsen、Stephen E. Webber、Wes Sisson、Robert M. Aust、Amit M. Shah、Richard E. Showalter、Virginia N. Banh、Kevin R. Steffy、James R. Appleman

  DOI：10.1016/j.bmcl.2007.10.017

  日期：2007.12

  Based upon observations from our initial findings, additional myxopyronin B analogs have been prepared and tested for in vitro inhibitory activity against DNA-dependent RNA polymerase and antibacterial activity against Escherichia coli and Staphylococcus aureus. (c) 2007 Elsevier Ltd. All rights reserved.