3-(3,4-Dihydroxyphenyl)-1-methylisoquinoline-6,7-diol;hydrochloride | 1099739-94-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-(3,4-Dihydroxyphenyl)-1-methylisoquinoline-6,7-diol;hydrochloride
• 英文别名: 3-(3,4-dihydroxyphenyl)-1-methylisoquinoline-6,7-diol;hydrochloride
• CAS: 1099739-94-2
• 化学式: C₁₆H₁₃NO₄*ClH
• 分子量: 319.744
• InChiKey: FGSISHCNMLFRLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.45
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  93.8
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride 在 三溴化硼 、 盐酸 、 水 作用下， 以 二氯甲烷 为溶剂， 生成 3-(3,4-Dihydroxyphenyl)-1-methylisoquinoline-6,7-diol;hydrochloride
  参考文献：
  名称：

  Structure–activity relationship of isoform selective inhibitors of Rac1/1b GTPase nucleotide binding

  摘要：

  The synthesis of a series of berberine, phenantridine and isoquinoline derivatives was realized to explore their Rho GTPase nucleotide inhibitory activity. The compounds were evaluated in a nucleotide binding competition assay against Rac1, Rac1b, Cdc42 and in a cellular Rac GTPase activation assay. The insertion of 19 AA in the splice variant Rac1b is shown to be sufficient to introduce a conformational difference that allows compounds 4, 21, 22, and 26 to exhibit selective inhibition of Rac 1b over Rac1. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.037