6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0³’¹³]trideca-5(13),6,8,11-tetraene-11-carbaldehyde

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0³’¹³]trideca-5(13),6,8,11-tetraene-11-carbaldehyde
• 英文别名: 9,10-difluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carbaldehyde；6,7-Difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbaldehyde；6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbaldehyde
• 化学式: C₁₃H₉F₂NO₃
• 分子量: 265.216
• InChiKey: BNOXMCCDQHLKTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0³’¹³]trideca-5(13),6,8,11-tetraene-11-carbaldehyde 、 (3S)-1-pyrazin-2-ylpiperidin-3-amine trihydrochloride 在 sodium acetate 、 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 6,7-difluoro-2-methyl-11-[[[(3S)-1-pyrazin-2-yl-3-piperidyl]amino]methyl]-4-oxa-1-azatricyclo[7.3.1.0^5,13]trideca-5(13),6,8,11-tetraen-10-one
  参考文献：
  名称：

  [EN] STIMULATOR OF INTERFERON GENES (STING) MODULATORS, AND COMPOSITIONS AND METHODS THEREOF
  [FR] MODULATEURS DE STIMULATEUR DE GÈNES D'INTERFÉRON (STING), ET COMPOSITIONS ET MÉTHODES ASSOCIÉES

  摘要：

  The invention provides novel modulators of STING (Stimulator of Interferon Genes) and pharmaceutical compositions thereof, as well as methods of their preparation and use, in therapy of various diseases and conditions, such as cancer, infectious and autoimmune diseases or disorders.

  公开号：

  WO2023158862A2
• 作为产物：
  描述：

  6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^5,13]trideca-5(13),6,8-triene-11-carbaldehyde 在 manganese(IV) oxide 作用下， 以 甲醇 为溶剂， 以6.5 g的产率得到6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0³’¹³]trideca-5(13),6,8,11-tetraene-11-carbaldehyde
  参考文献：
  名称：

  [EN] STIMULATOR OF INTERFERON GENES (STING) MODULATORS, AND COMPOSITIONS AND METHODS THEREOF
  [FR] MODULATEURS DE STIMULATEUR DE GÈNES D'INTERFÉRON (STING), ET COMPOSITIONS ET MÉTHODES ASSOCIÉES

  摘要：

  The invention provides novel modulators of STING (Stimulator of Interferon Genes) and pharmaceutical compositions thereof, as well as methods of their preparation and use, in therapy of various diseases and conditions, such as cancer, infectious and autoimmune diseases or disorders.

  公开号：

  WO2023158862A2