3-Methylisoquinoline-6-carbaldehyde | 1416712-95-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3-Methylisoquinoline-6-carbaldehyde
• CAS: 1416712-95-2
• 化学式: C₁₁H₉NO
• 分子量: 171.199
• InChiKey: XWOIPZXQGRBYCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Methylisoquinoline-6-carbaldehyde 在 sodium chlorite 、 sodium dihydrogenphosphate dihydrate 、 2-甲基-2-丁烯 作用下， 以 水 、 叔丁醇 为溶剂， 以53%的产率得到3-甲基-6-异喹啉羧酸
  参考文献：
  名称：

  2-Aminothiadiazole inhibitors of AKT1 as potential cancer therapeutics

  摘要：

  A series of 2-aminothiadiazole of inhibitors of AKT1 is described. SAR relationships are discussed, along with selectivity for protein kinase A (PKA) and cyclin-dependent kinase 2 (CDK2). Moderate selectivity observed in several compounds for AKT1 versus PKA is rationalized by X-ray crystallographic analysis. Key compounds showed activity in cellular assays measuring phosphorylation of two AKT substrates, PRAS40 and FKHRL1. Compound 30 was advanced to a mouse liver PD assay, where it showed dose-dependent inhibition of AKT activity, as measured by the inhibition of phospho-PRAS40. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.046
• 作为产物：
  描述：

  6-Ethenyl-3-methylisoquinoline 在 二甲基硫 、 碳酸氢钠 、 臭氧 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以88%的产率得到3-Methylisoquinoline-6-carbaldehyde
  参考文献：
  名称：

  2-Aminothiadiazole inhibitors of AKT1 as potential cancer therapeutics

  摘要：

  A series of 2-aminothiadiazole of inhibitors of AKT1 is described. SAR relationships are discussed, along with selectivity for protein kinase A (PKA) and cyclin-dependent kinase 2 (CDK2). Moderate selectivity observed in several compounds for AKT1 versus PKA is rationalized by X-ray crystallographic analysis. Key compounds showed activity in cellular assays measuring phosphorylation of two AKT substrates, PRAS40 and FKHRL1. Compound 30 was advanced to a mouse liver PD assay, where it showed dose-dependent inhibition of AKT activity, as measured by the inhibition of phospho-PRAS40. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.046