Triacetyl-asehogenin | 42385-87-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: Triacetyl-asehogenin
• 英文别名: 3-(4-acetoxy-phenyl)-1-(2,6-diacetoxy-4-methoxy-phenyl)-propan-1-one；3-(4-Acetoxy-phenyl)-1-(2,6-diacetoxy-4-methoxy-phenyl)-propan-1-on；[4-[3-(2,6-Diacetyloxy-4-methoxyphenyl)-3-oxopropyl]phenyl] acetate
• CAS: 42385-87-5
• 化学式: C₂₂H₂₂O₈
• 分子量: 414.412
• InChiKey: BQCMYTBVPYTIKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  乙酸酐 、 alkaline earth salt of/the/ methylsulfuric acid 在 吡啶 作用下， 生成 Triacetyl-asehogenin
  参考文献：
  名称：

  Murakami; Takeuchi, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1936, vol. 56, p. 649,657, 658; dtsch. Ref. S. 155, 159

  摘要：

  DOI：

文献信息

• Antileishmanial activities of dihydrochalcones from piper elongatum and synthetic related compounds. Structural requirements for activity
  作者：Alicia Hermoso、Ignacio A Jiménez、Zulma A Mamani、Isabel L Bazzocchi、José E Piñero、Angel G Ravelo、Basilio Valladares

  DOI：10.1016/s0968-0896(03)00406-1

  日期：2003.9

  Two dihydrochalcones (1 and 2) were isolated from Piper elongatum Vahl by activity-guided fractionation against extracellular promastigotes of Leishmania braziliensis in vitro. Their structures were elucidated by spectral analysis, including homonuclear and heteronuclear correlation NMR experiments. Derivatives 3-7 and 20 synthetic related compounds (8-27) were also assayed to establish the structural requirements for antileishmanial activity. Compounds 1-11 that proved to be more active that ketoconazol, used as positive control, were further assayed against promastigotes of Leishmania tropica and Leishmania infantum. Compounds 7 and 11, with a C-6-C-3-C-6 System, proved to be the most promising compounds, with IC50 values of 2.98 and 3.65 mug/mL, respectively, and exhibited no toxic effect on macrophages (around 90% viability). Correlation between the molecular structures and antileishmanial activity is discussed in detail. (C) 2003 Elsevier Ltd. All rights reserved.
• STUDIES ON THE STRUCTURE OF ASEBOTIN, A COM PONENT OF ANDROMEDA JAPONICA THUMB
  作者：Kunisaburo Tamura

  DOI：10.1246/bcsj.11.781

  日期：1936.12
• Zemplen; Mester, Chemische Berichte, 1942, vol. 75, p. 1298,1299, 1300
  作者：Zemplen、Mester

  DOI：——

  日期：——