1-[(2R,6S)-6-(tert-Butyl-dimethyl-silanyloxymethyl)-morpholin-2-yl]-4-chloro-6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline | 187473-18-3

• 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: 1-[(2R,6S)-6-(tert-Butyl-dimethyl-silanyloxymethyl)-morpholin-2-yl]-4-chloro-6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline
• CAS: 187473-18-3
• 化学式: C₂₃H₃₃ClN₄O₃Si
• 分子量: 477.079
• InChiKey: JASGYXLGXRMPFC-QFBILLFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.06
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  70.43
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  1-[(2R,6S)-6-(tert-Butyl-dimethyl-silanyloxymethyl)-morpholin-2-yl]-4-chloro-6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline 在 氢氟酸 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and evaluation of pyrazolo[3,4-b]quinoline ribofuranosides and their derivatives as inhibitors of oncogenic Ras

  摘要：

  A series of pyrazolo[3,4-b]quinoline ribofuranosides were prepared using the glycosylation methodology of Vorbruggen. Oxidative cleavage of the ribose moiety in 6 furnished the dialdehyde intermediate 36, which cyclizes upon reductive amination providing the morpholino compound 37. Derivatives from both the ribose and morpholino series were evaluated for their ability to inhibit the nucleotide exchange process of oncogenic Ras.(1a)

  DOI：

  10.1016/0960-894x(95)00574-d
• 作为产物：
  描述：

  (R)-2-[(R)-1-(4-Chloro-6-methoxy-3-methyl-pyrazolo[3,4-b]quinolin-1-yl)-2-oxo-ethoxy]-3-hydroxy-propionaldehyde 在 (NH₄)4B₂O₇ 、 sodium cyanoborohydride 作用下， 生成 1-[(2R,6S)-6-(tert-Butyl-dimethyl-silanyloxymethyl)-morpholin-2-yl]-4-chloro-6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline
  参考文献：
  名称：

  Synthesis and evaluation of pyrazolo[3,4-b]quinoline ribofuranosides and their derivatives as inhibitors of oncogenic Ras

  摘要：

  A series of pyrazolo[3,4-b]quinoline ribofuranosides were prepared using the glycosylation methodology of Vorbruggen. Oxidative cleavage of the ribose moiety in 6 furnished the dialdehyde intermediate 36, which cyclizes upon reductive amination providing the morpholino compound 37. Derivatives from both the ribose and morpholino series were evaluated for their ability to inhibit the nucleotide exchange process of oncogenic Ras.(1a)

  DOI：

  10.1016/0960-894x(95)00574-d