N-[2-(7-Hydroxy-7H-6-thia-3,4,8-triaza-benzo[de]cyclopenta[b]anthracen-7-yl)-ethyl]-propionamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-[2-(7-Hydroxy-7H-6-thia-3,4,8-triaza-benzo[de]cyclopenta[b]anthracen-7-yl)-ethyl]-propionamide
• 英文别名: N-[2-(2-hydroxy-4-thia-6,9,19-triazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),3(7),5,8,10,12(20),13,15,17-nonaen-2-yl)ethyl]propanamide
• 化学式: C₂₁H₁₈N₄O₂S
• 分子量: 390.466
• InChiKey: KUCCLEBOZAZSDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-[2-(8H-吡啶并[4,3,2-mn][1,3]噻唑并[4,5-b]吖啶-9-基)乙基]丙酰胺 在 氧气 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以4%的产率得到N-[2-(7-Hydroxy-7H-6-thia-3,4,8-triaza-benzo[de]cyclopenta[b]anthracen-7-yl)-ethyl]-propionamide
  参考文献：
  名称：

  Sagitol, a pyridoacridine alkaloid from the sponge Oceanapia sagittaria

  摘要：

  The sponge Oceanapia sagittaria from Palau contained the known sponge metabolite dercitamide (1) and a new pyridoacridine alkaloid sagitol (2). The structure of sagitol (2) was determined by interpretation of spectral data and confirmed by oxidation of dercitamide (1). CD measurements suggest that sagitol (2) is not an artifact. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02163-6

文献信息

• Sagitol, a pyridoacridine alkaloid from the sponge Oceanapia sagittaria
  作者：Christine E. Salomon、D. John Faulkner

  DOI：10.1016/s0040-4039(96)02163-6

  日期：1996.12

  The sponge Oceanapia sagittaria from Palau contained the known sponge metabolite dercitamide (1) and a new pyridoacridine alkaloid sagitol (2). The structure of sagitol (2) was determined by interpretation of spectral data and confirmed by oxidation of dercitamide (1). CD measurements suggest that sagitol (2) is not an artifact. Copyright (C) 1996 Elsevier Science Ltd