1-cyclohexyl-6-{[2-(trimethylsilyl)-ethoxy]methyl}-1,6-dihydropyrazolo[3,4-d]pyrrolo[2,3-b]-pyridine-3(2H)-one | 1039738-14-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 1-cyclohexyl-6-{[2-(trimethylsilyl)-ethoxy]methyl}-1,6-dihydropyrazolo[3,4-d]pyrrolo[2,3-b]-pyridine-3(2H)-one
• 英文别名: 1-cyclohexyl-6-{[2-(trimethylsilyl)-ethoxy]methyl}-1,6-dihydropyrazolo[3,4-d]pyrrolo[2,3-b]-pyridin-3(2H)-one；3-cyclohexyl-10-(2-trimethylsilylethoxymethyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
• CAS: 1039738-14-1
• 化学式: C₂₀H₃₀N₄O₂Si
• 分子量: 386.569
• InChiKey: JTUSHTIUUVCHBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-cyclohexyl-6-{[2-(trimethylsilyl)-ethoxy]methyl}-1,6-dihydropyrazolo[3,4-d]pyrrolo[2,3-b]-pyridine-3(2H)-one 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 0.75h， 生成 1-cyclohexyl-3-methoxy-6-{[2-(trimethylsilyl)ethoxy]methyl}-1,6-dihydropyrazolo[3,4-d]pyrrolo[2,3-b]pyridine 、 1-cyclohexyl-2-methyl-6-{[2-(trimethylsilyl)ethoxy]methyl}-1,6-dihydro-pyrazolo[3,4-d]pyrrolo[2,3-b]pyridine-3(2H)-one
  参考文献：
  名称：

  EP2123651

  摘要：

  公开号：

文献信息

• CONDENSED PYRIDINE COMPOUND
  申请人：Shirakami Shohei

  公开号：US20100105661A1

  公开（公告）日：2010-04-29

  The present invention provides a compound having excellent JAK3 inhibitory activity and being useful as an active ingredient of an agent for treating and/or preventing various immune diseases including autoimmune diseases, inflammatory diseases, and allergic diseases. As a result of investigations with respect to novel condensed heterocyclic derivatives, the inventors have verified that a condensed pyridine compound has excellent JAK3 inhibitory activity, thereby completing the present invention. More specifically, it has been verified that since the compound according to the present invention has inhibitory activity against JAK3, the compound is useful as an active ingredient of an agent for treating or preventing diseases caused by undesirable cytokine signal transduction (e.g., rejection during live organ/tissue transplantation, autoimmune diseases, asthma, atopic dermatitis, rheumatism, psoriasis and atherosclerotic disease), or diseases caused by abnormal cytokine signal transduction (e.g., cancer and leukemia).

  本发明提供了一种具有出色JAK3抑制活性的化合物，可作为治疗和/或预防各种免疫疾病，包括自身免疫性疾病、炎症性疾病和过敏性疾病的药剂的有效成分。通过对新型紧缩杂环衍生物的研究，发明人已经验证，紧缩吡啶化合物具有出色的JAK3抑制活性，从而完成了本发明。更具体地说，已经验证，由于本发明的化合物具有对JAK3的抑制活性，因此该化合物可用作治疗或预防由不良细胞因子信号转导引起的疾病（例如，在活体器官/组织移植期间的排斥反应、自身免疫性疾病、哮喘、特应性皮炎、风湿病、牛皮癣和动脉粥样硬化疾病），或由异常细胞因子信号转导引起的疾病（例如癌症和白血病）的有效成分。