屈昔多巴杂质6 | 90044-46-5

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 栗碱生物碱
• 中文名称: 屈昔多巴杂质6
• 英文名称: 5,6,11,12-tetrahydro-5,11-epimino-dibenzo[a,e]cyclooctene-2,3,8,9-tetraol
• 英文别名: 5,6,11,12-Tetrahydro-5,11-epimino-dibenzo[a,e]cycloocten-2,3,8,9-tetraol；(+/-)-Tetrahydroxypavinane；17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-4,5,12,13-tetrol
• CAS: 90044-46-5
• 化学式: C₁₆H₁₅NO₄
• 分子量: 285.299
• InChiKey: FXFLVMCXSZBKTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  93
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  屈昔多巴杂质6 、 乙酸酐 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以95%的产率得到2,3,8,9-tetraacetoxy-13-acetyl-5,6,11,12-tetrahydrodibenzo[a,e]cycloocten-5,11-imine
  参考文献：
  名称：

  Synthesis of new TNF-α Inhibitors and their biological properties

  摘要：

  New pavine alkaloid derivatives with various substitutions on their aromatic rings and nitrogen atom were prepared and evaluated for their inhibitory activity against TNF-alpha production in mouse macrophages stimulated with LPS. Some compounds showed potent inhibitory activities in vitro and protected mice against lethality of septic shock induced by LPS and D-galactosamine. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00103-5
• 作为产物：
  描述：

  3-(3,4-dihydroxyphenyl)serine 在 盐酸 作用下， 以 水 为溶剂， 以62%的产率得到屈昔多巴杂质6
  参考文献：
  名称：

  Synthesis of new TNF-α Inhibitors and their biological properties

  摘要：

  New pavine alkaloid derivatives with various substitutions on their aromatic rings and nitrogen atom were prepared and evaluated for their inhibitory activity against TNF-alpha production in mouse macrophages stimulated with LPS. Some compounds showed potent inhibitory activities in vitro and protected mice against lethality of septic shock induced by LPS and D-galactosamine. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00103-5

文献信息

• Synthesis of new TNF-α Inhibitors and their biological properties
  作者：Norio Fujiwara、Yutaka Ueda、Naohito Ohashi

  DOI：10.1016/0960-894x(96)00103-5

  日期：1996.4

  New pavine alkaloid derivatives with various substitutions on their aromatic rings and nitrogen atom were prepared and evaluated for their inhibitory activity against TNF-alpha production in mouse macrophages stimulated with LPS. Some compounds showed potent inhibitory activities in vitro and protected mice against lethality of septic shock induced by LPS and D-galactosamine. Copyright (C) 1996 Elsevier Science Ltd