exo-4-(8-azabicyclo[3.2.1]octane-3-ylthio)-7H-pyrrolo[2,3-d]pyrimidine

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: exo-4-(8-azabicyclo[3.2.1]octane-3-ylthio)-7H-pyrrolo[2,3-d]pyrimidine
• 英文别名: 4-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine
• 化学式: C₁₃H₁₆N₄S
• 分子量: 260.363
• InChiKey: ADEYTSXGTZPQTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  exo-4-(8-azabicyclo[3.2.1]octane-3-ylthio)-7H-pyrrolo[2,3-d]pyrimidine 、 氯甲酸乙酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以88.5%的产率得到endo-ethyl 3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylthio)-8-azabicyclo[3.2.1]octane-8-carboxylate
  参考文献：
  名称：

  ＪＡＫ-3 저해제로 유용한 ７Ｈ-피롤로[2,3-ｄ]피리미딘-4-싸이올 유도체

  摘要：

  This is the translation of the text you provided: This invention relates to a method for preparing a novel 7H-pyrrolo[2,3-d]pyrimidine-4-thiol derivative or a pharmaceutically acceptable salt thereof and pharmaceutical compositions containing it as an active ingredient. Compositions containing the novel 7H-pyrrolo[2,3-d]pyrimidine-4-thiol derivative according to the present invention can be useful for the prevention or treatment of diseases induced by the overactivity of Janus kinase (JAK).

  公开号：

  KR101683061B1
• 作为产物：
  描述：

  (3-endo)-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester 在 盐酸 、 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 5.0h， 生成 exo-4-(8-azabicyclo[3.2.1]octane-3-ylthio)-7H-pyrrolo[2,3-d]pyrimidine
  参考文献：
  名称：

  ＪＡＫ-3 저해제로 유용한 ７Ｈ-피롤로[2,3-ｄ]피리미딘-4-싸이올 유도체

  摘要：

  This is the translation of the text you provided: This invention relates to a method for preparing a novel 7H-pyrrolo[2,3-d]pyrimidine-4-thiol derivative or a pharmaceutically acceptable salt thereof and pharmaceutical compositions containing it as an active ingredient. Compositions containing the novel 7H-pyrrolo[2,3-d]pyrimidine-4-thiol derivative according to the present invention can be useful for the prevention or treatment of diseases induced by the overactivity of Janus kinase (JAK).

  公开号：

  KR101683061B1

文献信息

• ＪＡＫ-3 저해제로 유용한 ７Ｈ-피롤로[2,3-ｄ]피리미딘-4-싸이올 유도체
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 한국과학기술연구원(319980077518) BRN ▼209-82-03522

  公开号：KR101683061B1

  公开（公告）日：2016-12-07

  본 발명은 신규 7 H- 피롤로[2,3- d ]피리미딘-4-싸이올 유도체 또는 약학적으로 허용 가능한 이의 염의 제조방법 및 이를 유효성분으로 하는 약학적 조성물에 관한 것것으로, 본 발명에 따른 신규 7 H- 피롤로[2,3- d ]피리미딘-4-싸이올 유도체를 함유하는 조성물은 야누스 키나제(JAK)의 과활성에 의해 유발되는 질환의 예방 또는 치료에 유용하게 사용될 수 있다.

  This is the translation of the text you provided: This invention relates to a method for preparing a novel 7H-pyrrolo[2,3-d]pyrimidine-4-thiol derivative or a pharmaceutically acceptable salt thereof and pharmaceutical compositions containing it as an active ingredient. Compositions containing the novel 7H-pyrrolo[2,3-d]pyrimidine-4-thiol derivative according to the present invention can be useful for the prevention or treatment of diseases induced by the overactivity of Janus kinase (JAK).