1-(3-(6,7-Dimethoxy-1-methylisoquinolin-3-yl)phenyl)ethanone hydrochloride | 1099739-10-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3-(6,7-Dimethoxy-1-methylisoquinolin-3-yl)phenyl)ethanone hydrochloride
• 英文别名: 1-(3-(6,7-dimethoxylmethylisoquinolin-3-yl)phenyl)ethanone hydrochloride；1-[3-(6,7-Dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone;hydrochloride
• CAS: 1099739-10-2
• 化学式: C₂₀H₁₉NO₃*ClH
• 分子量: 357.837
• InChiKey: ROTMCBXIWJRWJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  48.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3-(6,7-Dimethoxy-1-methylisoquinolin-3-yl)phenyl)ethanone hydrochloride 、 碘甲烷 在 Amberlite Cl 作用下， 以 乙腈 为溶剂， 生成 3-(3-acetylphenyl)-6,7-dimethoxy-1,2-dimethylisoquinolinium chloride
  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

文献信息

• COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES
  申请人：Leblond Bertrand

  公开号：US20100120810A1

  公开（公告）日：2010-05-13

  The present invention relates to methods and compositions that affect the GTP-binding activity of members of the Rho family GTPases, preferably Rac GTPases (Rac1, Rac1b, Rac2 and/or Rac3).

  本发明涉及影响Rho家族GTP酶成员的GTP结合活性的方法和组合物，优选是Rac GTP酶（Rac1，Rac1b，Rac2和/或Rac3）。
• [EN] COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR MODULER LES GTPASES RHO
  申请人：EXONHIT THERAPEUTICS SA

  公开号：WO2009007457A2

  公开（公告）日：2009-01-15

  The present invention relates to methods and compositions that affect the GTP-binding activity of members of the Rho family GTPases, preferably Rac GTPases (Rac1, Rac1b, Rac2 and/or Rac3).