1-(2-oxo-2,5-dihydrofuran-3-yl)-2-((4aR,6aS,7R,10aS,10bR)-3,3,6a,10b-tetramethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethyl 6-nitrobenzo[d][1,3]dioxole-5-carboxylate | 1312672-35-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-(2-oxo-2,5-dihydrofuran-3-yl)-2-((4aR,6aS,7R,10aS,10bR)-3,3,6a,10b-tetramethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethyl 6-nitrobenzo[d][1,3]dioxole-5-carboxylate
• CAS: 1312672-35-7
• 化学式: C₃₁H₃₇NO₁₀
• 分子量: 583.635
• InChiKey: ZGYDRYSOXIMVOX-XSDYMNKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.26
• 重原子数：
  42.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  132.66
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  1-(2-oxo-2,5-dihydrofuran-3-yl)-2-((4aR,6aS,7R,10aS,10bR)-3,3,6a,10b-tetramethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethyl 6-nitrobenzo[d][1,3]dioxole-5-carboxylate 在 溶剂黄146 作用下， 反应 0.5h， 生成 [2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-(5-oxo-2H-furan-4-yl)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate
  参考文献：
  名称：

  Synthesis of andrographolide derivatives and their TNF-α and IL-6 expression inhibitory activities

  摘要：

  The synthesis of a series of andrographolide derivatives was described and their inhibitory effects on TNF-alpha and IL-6 secretion in mouse macrophages were also evaluated. Most of the tested compounds showed inhibitory effects, and the compounds with the structure of 12-hydroxy-14-dehydroandrographolide showed better inhibitory activity than the compounds with the structure of isoandrographolide. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.009
• 作为产物：
  描述：

  3-(1-hydroxy-2-((4aR,6aS,7R,10aS,10bR)-3,3,6a,10b-tetramethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethyl)furan-2(5H)-one 、 6-硝基-1,3-苯并二氧代-5-羧酸 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-(2-oxo-2,5-dihydrofuran-3-yl)-2-((4aR,6aS,7R,10aS,10bR)-3,3,6a,10b-tetramethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethyl 6-nitrobenzo[d][1,3]dioxole-5-carboxylate
  参考文献：
  名称：

  Synthesis of andrographolide derivatives and their TNF-α and IL-6 expression inhibitory activities

  摘要：

  The synthesis of a series of andrographolide derivatives was described and their inhibitory effects on TNF-alpha and IL-6 secretion in mouse macrophages were also evaluated. Most of the tested compounds showed inhibitory effects, and the compounds with the structure of 12-hydroxy-14-dehydroandrographolide showed better inhibitory activity than the compounds with the structure of isoandrographolide. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.009