| 1197054-52-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 1197054-52-6
• 化学式: C₁₁H₁₁ClF₃N₃O
• 分子量: 293.676
• InChiKey: HCKKSZWKIBSNKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.48
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  46.09
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (S,Z)-N-((1s,4s)-4-((2E,4E)-5-((3R,5S)-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-5-yl)-3-methylpenta-2,4-dien-1-yl)cyclohexyl)-4-hydroxypent-2-enamide 、 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以56%的产率得到(S,Z)-5-((1R,4R)-4-((2E,4E)-5-((3R,5S)-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-5-yl)-3-methylpenta-2,4-dienyl)cyclohexylamino)-5-oxopent-3-en-2-yl 1-(2-(trifluoromethyl)pyrimidin-4-yl)piperidine-4-carboxylate
  参考文献：
  名称：

  Synthetic mRNA Splicing Modulator Compounds with in Vivo Antitumor Activity

  摘要：

  We report our progress on the development of new synthetic anticancer lead compounds that modulate the splicing of mRNA, We also report the synthesis and evaluation of new biologically active ester and carbamate analogues. Further, we describe initial animal studies demonstrating the antitumor efficacy of compound 5 in vivo. Additionally, we report the enantioselective and diastereospecific synthesis of a new 1,3-dioxane series of active analogues, We confirm that compound 5 inhibits the splicing of mRNA in cell-free nuclear extracts and in a cell-based dual-reporter mRNA splicing assay. In summary, we have developed totally synthetic novel spliceosome modulators as therapeutic lead compounds for a number or highly aggressive cancers. Future efforts will be directed toward the more complete optimization of these compounds as potential human therapeutics.

  DOI：

  10.1021/jm901215m