3-Bromomethyl-4-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-naphthalene-2-carbaldehyde | 741292-78-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-Bromomethyl-4-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-naphthalene-2-carbaldehyde
• CAS: 741292-78-4
• 化学式: C₂₂H₂₁BrO₅
• 分子量: 445.31
• InChiKey: DQLGXEYFEAVORF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  53.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-Bromomethyl-4-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-naphthalene-2-carbaldehyde 在 sodium tetrahydroborate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 4-(3,4-Dimethoxyphenyl)-2-isopropyl-6,7-dimethoxy-1,3-dihydrobenzo[f]isoindole
  参考文献：
  名称：

  Preparation and anti-HIV activities of retrojusticidin B analogs and azalignans

  摘要：

  Ten lignans (2-11) and a series of azalignans including 1-aryl-pyrronaphthalenes 20-24 and 3-N-alkylaminomethyl-1-arylnaphthalenes 25-28, structurally related to two HIV reverse transcriptase inhibitors, retrojusticidin B and phyllamyricin A, were prepared from phyllanthin (1) for evaluation of anti-HIV activities. Anti-HIV activity of these compounds on a R5 pseudotype virus, ConB/pNL43E-L+, in the U87-CD4-CCR5 cells has been measured. Compounds 5, 22, 23, and 28 showed good anti-HIV activity with IC50 value of 0.25, 1.07, 0.01, 0.32 mug/mL, respectively. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.05.036
• 作为产物：
  描述：

  1,1'-[(2S,3S)-2,3-双(甲氧基甲基)-1,4-丁二基]双[3,4-二甲氧基苯] 在 氢溴酸 、 溶剂黄146 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 为溶剂， 反应 3.67h， 生成 3-Bromomethyl-4-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-naphthalene-2-carbaldehyde
  参考文献：
  名称：

  Preparation and anti-HIV activities of retrojusticidin B analogs and azalignans

  摘要：

  Ten lignans (2-11) and a series of azalignans including 1-aryl-pyrronaphthalenes 20-24 and 3-N-alkylaminomethyl-1-arylnaphthalenes 25-28, structurally related to two HIV reverse transcriptase inhibitors, retrojusticidin B and phyllamyricin A, were prepared from phyllanthin (1) for evaluation of anti-HIV activities. Anti-HIV activity of these compounds on a R5 pseudotype virus, ConB/pNL43E-L+, in the U87-CD4-CCR5 cells has been measured. Compounds 5, 22, 23, and 28 showed good anti-HIV activity with IC50 value of 0.25, 1.07, 0.01, 0.32 mug/mL, respectively. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.05.036